2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one

C15H17ClN4O — CID 135611342

IUPAC2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N/N=C(/C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O/c1-3-4-13-9-14(21)18-15(17-13)20-19-10(2)11-5-7-12(16)8-6-11/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21)/b19-10-
InChIKeyNCTNGXAPKGANRA-GRSHGNNSSA-N
MW304.78 g/mol
LogP3.21
Rot. Bonds5

About 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one

2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135611342) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID135611342
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(N/N=C(/C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H17ClN4O/c1-3-4-13-9-14(21)18-15(17-13)20-19-10(2)11-5-7-12(16)8-6-11/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21)/b19-10-
InChIKeyNCTNGXAPKGANRA-GRSHGNNSSA-N
XLogP3.21
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one (CID 135611342) is 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(N/N=C(/C)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is NCTNGXAPKGANRA-GRSHGNNSSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-4-13-9-14(21)18-15(17-13)20-19-10(2)11-5-7-12(16)8-6-11/h5-9H,3-4H2,1-2H3,(H2,17,18,20,21)/b19-10-.
What are the key properties of 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 304.78 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135611342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).