2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H13ClN6O — CID 6018685

IUPAC2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)nc(N/N=C\c2c(Cl)nc3ccccn3c2=O)n1
InChIInChI=1S/C15H13ClN6O/c1-9-7-10(2)19-15(18-9)21-17-8-11-13(16)20-12-5-3-4-6-22(12)14(11)23/h3-8H,1-2H3,(H,18,19,21)/b17-8-
InChIKeyJGVHZXKINLIBMY-IUXPMGMMSA-N
MW328.76 g/mol
LogP2.20
Rot. Bonds3

About 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one

2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 6018685) has the molecular formula C15H13ClN6O and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID6018685
Molecular FormulaC15H13ClN6O
Molecular Weight328.76 g/mol
Exact Mass328.08
IUPAC Name2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)nc(N/N=C\c2c(Cl)nc3ccccn3c2=O)n1
InChIInChI=1S/C15H13ClN6O/c1-9-7-10(2)19-15(18-9)21-17-8-11-13(16)20-12-5-3-4-6-22(12)14(11)23/h3-8H,1-2H3,(H,18,19,21)/b17-8-
InChIKeyJGVHZXKINLIBMY-IUXPMGMMSA-N
XLogP2.20
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

N-[(10-chloroanthracen-9-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4077407
2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 135576402
methyl (E)-3-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enoate
CID 84818363
2-benzylsulfanyl-3-[(phenylhydrazinylidene)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 4649514
2,3-dichloropyrido[1,2-a]pyrimidin-4-one
CID 74890119
4,6-dimethyl-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]pyrimidin-2-amine
CID 42994964
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
N-[(Z)-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013477
N-[(3-chlorophenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 78627381
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]aniline
CID 4087717
2-benzylsulfanyl-9-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 135636423
4,6-dimethyl-N-(pyridin-4-ylmethylideneamino)pyrimidin-2-amine
CID 5149886

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 6018685) is 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(C)nc(N/N=C\c2c(Cl)nc3ccccn3c2=O)n1.
What is the InChIKey of 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JGVHZXKINLIBMY-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H13ClN6O/c1-9-7-10(2)19-15(18-9)21-17-8-11-13(16)20-12-5-3-4-6-22(12)14(11)23/h3-8H,1-2H3,(H,18,19,21)/b17-8-.
What are the key properties of 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 328.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 6018685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).