CCCCc1nc(N)nc(O)c1C
名称: 2-amino-4-butyl-5-methyl-1H-pyrimidin-6-one
SMILES: CCCCc1nc(N)nc(O)c1C

Molecular Processing

Molecular formula
C9H15N3O
Molecular weight
181.24
Exact mass
181.1215
XLogP
1.42
TPSA
72.03
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
51.46

Supplementary Information

InChIKey: MGMJINGLVXWGAO-UHFFFAOYSA-N
同義語
SCHEMBL6415564MGMJINGLVXWGAO-UHFFFAOYSA-N2-amino-6-butyl-5-methylpyrimidine-4-ol
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