CAS: 185040-38-4
이름: [2-anilino-4-(ethylamino)pyrimidin-5-yl]methanol
SMILES:
CCNC1=NC(=NC=C1CO)NC2=CC=CC=C2Molecular Processing
Molecular formula
C13H16N4O
Molecular weight
244.3
Exact mass
244.1324
XLogP
2.14
TPSA
70.07
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
71.84
Supplementary Information
InChIKey: AIGLEQLWQODLLF-UHFFFAOYSA-N
동의어
SCHEMBL4713441AIGLEQLWQODLLF-UHFFFAOYSA-NDB-166595(4-ethylamino-2-phenylamino-pyrimidin-5-yl)methanol(4-ethylamino-2-phenylamino-pyrimidin-5-yl)-methanol4-(Ethylamino)-2-(phenylamino)-5-pyrimidinemethanol185040-38-4
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