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

C14H15N5O — CID 82881777

IUPAC2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1ccc(CNCc2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C14H15N5O/c1-18-7-5-11(17-18)9-15-10-12-8-14(20)19-6-3-2-4-13(19)16-12/h2-8,15H,9-10H2,1H3
InChIKeyRXBZGVGYPFLPAA-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.72
Rot. Bonds4

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

2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 82881777) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID82881777
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1ccc(CNCc2cc(=O)n3ccccc3n2)n1
InChIInChI=1S/C14H15N5O/c1-18-7-5-11(17-18)9-15-10-12-8-14(20)19-6-3-2-4-13(19)16-12/h2-8,15H,9-10H2,1H3
InChIKeyRXBZGVGYPFLPAA-UHFFFAOYSA-N
XLogP0.72
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106044537
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 102805071
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235
N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
CID 78915598
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-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 82881777) is 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cn1ccc(CNCc2cc(=O)n3ccccc3n2)n1.
What is the InChIKey of 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RXBZGVGYPFLPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-18-7-5-11(17-18)9-15-10-12-8-14(20)19-6-3-2-4-13(19)16-12/h2-8,15H,9-10H2,1H3.
What are the key properties of 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 269.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 82881777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).