2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H19N5O — CID 91836548

IUPAC2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1n[nH]c(C)c1CN(C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H19N5O/c1-11-14(12(2)19-18-11)10-20(3)9-13-8-16(22)21-7-5-4-6-15(21)17-13/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyKBPVYPZAIIHNPX-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.67
Rot. Bonds4

About 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 91836548) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID91836548
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1n[nH]c(C)c1CN(C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H19N5O/c1-11-14(12(2)19-18-11)10-20(3)9-13-8-16(22)21-7-5-4-6-15(21)17-13/h4-8H,9-10H2,1-3H3,(H,18,19)
InChIKeyKBPVYPZAIIHNPX-UHFFFAOYSA-N
XLogP1.67
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 91836548) is 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1n[nH]c(C)c1CN(C)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KBPVYPZAIIHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-14(12(2)19-18-11)10-20(3)9-13-8-16(22)21-7-5-4-6-15(21)17-13/h4-8H,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91836548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).