3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

C10H12N4O — CID 118424269

IUPAC3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(C(N)N)cnc12
InChIInChI=1S/C10H12N4O/c1-6-3-2-4-14-9(6)13-5-7(8(11)12)10(14)15/h2-5,8H,11-12H2,1H3
InChIKeyVKLXIXCDDFBGHQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.08
Rot. Bonds1

About 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 118424269) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID118424269
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(C(N)N)cnc12
InChIInChI=1S/C10H12N4O/c1-6-3-2-4-14-9(6)13-5-7(8(11)12)10(14)15/h2-5,8H,11-12H2,1H3
InChIKeyVKLXIXCDDFBGHQ-UHFFFAOYSA-N
XLogP-0.08
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 39122781
2,2-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 76849636
(1S)-2,2-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-amine
CID 92858314
9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 23651681
3-iodo-8-methylimidazo[1,2-a]pyridine
CID 115404343
(8-methylimidazo[1,2-a]pyridin-3-yl)-pyridin-4-ylmethanamine
CID 82029116
(1S)-2-ethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-amine
CID 39122817
2-methyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 112713198
3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
CID 10726071
N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 154762719
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 76849644

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 118424269) is 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(C(N)N)cnc12.
What is the InChIKey of 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VKLXIXCDDFBGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-3-2-4-14-9(6)13-5-7(8(11)12)10(14)15/h2-5,8H,11-12H2,1H3.
What are the key properties of 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one?
3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 204.23 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118424269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).