2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H17N5O — CID 106044537

IUPAC2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(CNCc2cc(=O)n3ccccc3n2)cnn1C
InChIInChI=1S/C15H17N5O/c1-11-12(9-17-19(11)2)8-16-10-13-7-15(21)20-6-4-3-5-14(20)18-13/h3-7,9,16H,8,10H2,1-2H3
InChIKeyZOKLKWLLEBYCSQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.03
Rot. Bonds4

About 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 106044537) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID106044537
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(CNCc2cc(=O)n3ccccc3n2)cnn1C
InChIInChI=1S/C15H17N5O/c1-11-12(9-17-19(11)2)8-16-10-13-7-15(21)20-6-4-3-5-14(20)18-13/h3-7,9,16H,8,10H2,1-2H3
InChIKeyZOKLKWLLEBYCSQ-UHFFFAOYSA-N
XLogP1.03
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106104512
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 106044537) is 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1c(CNCc2cc(=O)n3ccccc3n2)cnn1C.
What is the InChIKey of 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZOKLKWLLEBYCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-12(9-17-19(11)2)8-16-10-13-7-15(21)20-6-4-3-5-14(20)18-13/h3-7,9,16H,8,10H2,1-2H3.
What are the key properties of 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.33 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 106044537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).