2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one

C15H13ClN6O2 — CID 135576402

IUPAC2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cl)c(/C=N/Nc3nc(C)cc(=O)[nH]3)c(=O)n2c1
InChIInChI=1S/C15H13ClN6O2/c1-8-3-4-11-19-13(16)10(14(24)22(11)7-8)6-17-21-15-18-9(2)5-12(23)20-15/h3-7H,1-2H3,(H2,18,20,21,23)/b17-6+
InChIKeyIKASKMOSORYOKB-UBKPWBPPSA-N
MW344.76 g/mol
LogP1.49
Rot. Bonds3

About 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one

2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135576402) has the molecular formula C15H13ClN6O2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID135576402
Molecular FormulaC15H13ClN6O2
Molecular Weight344.76 g/mol
Exact Mass344.08
IUPAC Name2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(Cl)c(/C=N/Nc3nc(C)cc(=O)[nH]3)c(=O)n2c1
InChIInChI=1S/C15H13ClN6O2/c1-8-3-4-11-19-13(16)10(14(24)22(11)7-8)6-17-21-15-18-9(2)5-12(23)20-15/h3-7H,1-2H3,(H2,18,20,21,23)/b17-6+
InChIKeyIKASKMOSORYOKB-UBKPWBPPSA-N
XLogP1.49
TPSA104.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 51.49
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 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) is 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(Cl)c(/C=N/Nc3nc(C)cc(=O)[nH]3)c(=O)n2c1.
What is the InChIKey of 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IKASKMOSORYOKB-UBKPWBPPSA-N. The full InChI is InChI=1S/C15H13ClN6O2/c1-8-3-4-11-19-13(16)10(14(24)22(11)7-8)6-17-21-15-18-9(2)5-12(23)20-15/h3-7H,1-2H3,(H2,18,20,21,23)/b17-6+.
What are the key properties of 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 344.76 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135576402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).