2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H15N5O — CID 102805071

IUPAC2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nn(C)cc1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H15N5O/c1-10-12(9-18(2)17-10)15-8-11-7-14(20)19-6-4-3-5-13(19)16-11/h3-7,9,15H,8H2,1-2H3
InChIKeyJODAOJTVXVPSLU-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.35
Rot. Bonds3

About 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 102805071) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID102805071
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nn(C)cc1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H15N5O/c1-10-12(9-18(2)17-10)15-8-11-7-14(20)19-6-4-3-5-13(19)16-11/h3-7,9,15H,8H2,1-2H3
InChIKeyJODAOJTVXVPSLU-UHFFFAOYSA-N
XLogP1.35
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-fluoro-2-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62669698
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
2-[(3,4-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671061
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(2-bromo-3-chloroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 103479249
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106104512
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[3-(1-methyltriazol-4-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 146143577
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 102805071) is 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nn(C)cc1NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JODAOJTVXVPSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-12(9-18(2)17-10)15-8-11-7-14(20)19-6-4-3-5-13(19)16-11/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 269.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 102805071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).