5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one

C10H15N3O — CID 136693511

IUPAC5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCC2)c(CN)c(=O)[nH]1
InChIInChI=1S/C10H15N3O/c1-6-12-9(7-3-2-4-7)8(5-11)10(14)13-6/h7H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyIXNUUHIHHXTLOG-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.80
Rot. Bonds2

About 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one

5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one (PubChem CID 136693511) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one
PubChem CID136693511
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCC2)c(CN)c(=O)[nH]1
InChIInChI=1S/C10H15N3O/c1-6-12-9(7-3-2-4-7)8(5-11)10(14)13-6/h7H,2-5,11H2,1H3,(H,12,13,14)
InChIKeyIXNUUHIHHXTLOG-UHFFFAOYSA-N
XLogP0.80
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopentyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373877
3-(aminomethyl)-4-cyclohexyl-6-methyl-1H-pyridin-2-one
CID 67124359
(4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine
CID 105480566
5-(aminomethyl)-4-cyclobutyl-6-methoxypyrimidin-2-amine
CID 105461912
(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 62744554
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
4-(aminomethyl)-1-methyl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 95732936
2-benzyl-5-bromo-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729655
2-(chloromethyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729885
4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
CID 137286206
4-cyclopentyl-2-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136729802
4-(3-cyclobutylphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136770360

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one (CID 136693511) is 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCC2)c(CN)c(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one?
The InChIKey is IXNUUHIHHXTLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-12-9(7-3-2-4-7)8(5-11)10(14)13-6/h7H,2-5,11H2,1H3,(H,12,13,14).
What are the key properties of 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one?
5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-cyclobutyl-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136693511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).