CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)Cl)C
CAS: 755039-55-5
Name: (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
SMILES: CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)Cl)C

Molecular Processing

Molecular formula
C14H19ClN4O
Molecular weight
294.79
Exact mass
294.1247
XLogP
2.63
TPSA
49.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
79.27

Supplementary Information

InChIKey: RDOMCFLYXZACAX-SNVBAGLBSA-N
Synonyms
(R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-oneRefChem:407214875-055-4755039-55-5(7R)-2-CHLORO-8-CYCLOPENTYL-7-ETHYL-7,8-DIHYDRO-5-METHYL-6(5H)-PTERIDINONE(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-oneMFCD10698781(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-5,6,7,8-tetrahydropteridin-6-one(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-oneSCHEMBL376094DTXSID90647504RDOMCFLYXZACAX-SNVBAGLBSA-NCS-M0328AKOS016007032DS-17734SY292555DB-235575F231561(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-5H-pteridin-6-one
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Involved in 26 reactions→

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