7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H17N5O — CID 135111694

IUPAC7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)Cc3ccn[nH]3)cc(=O)n2c1
InChIInChI=1S/C15H17N5O/c1-11-3-4-14-17-13(7-15(21)20(14)8-11)10-19(2)9-12-5-6-16-18-12/h3-8H,9-10H2,1-2H3,(H,16,18)
InChIKeyIORCFADJAFLBIB-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.36
Rot. Bonds4

About 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135111694) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID135111694
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN(C)Cc3ccn[nH]3)cc(=O)n2c1
InChIInChI=1S/C15H17N5O/c1-11-3-4-14-17-13(7-15(21)20(14)8-11)10-19(2)9-12-5-6-16-18-12/h3-8H,9-10H2,1-2H3,(H,16,18)
InChIKeyIORCFADJAFLBIB-UHFFFAOYSA-N
XLogP1.36
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 135111694) is 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN(C)Cc3ccn[nH]3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IORCFADJAFLBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-3-4-14-17-13(7-15(21)20(14)8-11)10-19(2)9-12-5-6-16-18-12/h3-8H,9-10H2,1-2H3,(H,16,18).
What are the key properties of 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 283.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135111694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).