2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

C16H25ClN4O — CID 119928920

IUPAC2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN(C)CC(C)(C)CN)nc12.Cl
InChIInChI=1S/C16H24N4O.ClH/c1-12-6-5-7-20-14(21)8-13(18-15(12)20)9-19(4)11-16(2,3)10-17;/h5-8H,9-11,17H2,1-4H3;1H
InChIKeyNBYHKPJBWYHDMZ-UHFFFAOYSA-N
MW324.86 g/mol
LogP1.84
Rot. Bonds5

About 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride

2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 119928920) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID119928920
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCc1cccn2c(=O)cc(CN(C)CC(C)(C)CN)nc12.Cl
InChIInChI=1S/C16H24N4O.ClH/c1-12-6-5-7-20-14(21)8-13(18-15(12)20)9-19(4)11-16(2,3)10-17;/h5-8H,9-11,17H2,1-4H3;1H
InChIKeyNBYHKPJBWYHDMZ-UHFFFAOYSA-N
XLogP1.84
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 119928920) is 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cc1cccn2c(=O)cc(CN(C)CC(C)(C)CN)nc12.Cl.
What is the InChIKey of 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is NBYHKPJBWYHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.ClH/c1-12-6-5-7-20-14(21)8-13(18-15(12)20)9-19(4)11-16(2,3)10-17;/h5-8H,9-11,17H2,1-4H3;1H.
What are the key properties of 2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride?
2-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 324.86 g/mol, XLogP of 1.84, 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]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 119928920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).