2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C16H24N4O — CID 79645513

IUPAC2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)CC(C)(C)CN)cc(=O)n2c1
InChIInChI=1S/C16H24N4O/c1-12-5-6-14-18-13(7-15(21)20(14)8-12)9-19(4)11-16(2,3)10-17/h5-8H,9-11,17H2,1-4H3
InChIKeyMMJLZQNFWLCKIW-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.42
Rot. Bonds5

About 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 79645513) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID79645513
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)CC(C)(C)CN)cc(=O)n2c1
InChIInChI=1S/C16H24N4O/c1-12-5-6-14-18-13(7-15(21)20(14)8-12)9-19(4)11-16(2,3)10-17/h5-8H,9-11,17H2,1-4H3
InChIKeyMMJLZQNFWLCKIW-UHFFFAOYSA-N
XLogP1.42
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[(2-chlorophenyl)methyl-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 46801667
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119928920
7-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 119928870
7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787830
7-methyl-2-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95580774
2-(2-aminoethylsulfanylmethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43249315
2-[ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetonitrile
CID 51098372
2-[butyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetamide
CID 56812870
2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 16611538
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 8718373
2-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 50787966
(4-tert-butylphenyl)methyl-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
CID 8515999

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 79645513) is 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(C)CC(C)(C)CN)cc(=O)n2c1.
What is the InChIKey of 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MMJLZQNFWLCKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-5-6-14-18-13(7-15(21)20(14)8-12)9-19(4)11-16(2,3)10-17/h5-8H,9-11,17H2,1-4H3.
What are the key properties of 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 288.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 79645513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).