2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one

C14H14Cl2N4O — CID 136788133

IUPAC2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N/N=C\c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N4O/c1-8(2)12-6-13(21)19-14(18-12)20-17-7-9-3-4-10(15)5-11(9)16/h3-8H,1-2H3,(H2,18,19,20,21)/b17-7-
InChIKeyNBJSGTIEXJVOFP-IDUWFGFVSA-N
MW325.20 g/mol
LogP3.65
Rot. Bonds4

About 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one

2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136788133) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136788133
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N/N=C\c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N4O/c1-8(2)12-6-13(21)19-14(18-12)20-17-7-9-3-4-10(15)5-11(9)16/h3-8H,1-2H3,(H2,18,19,20,21)/b17-7-
InChIKeyNBJSGTIEXJVOFP-IDUWFGFVSA-N
XLogP3.65
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.65
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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Related Compounds

2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136787959
3-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135450335
2-[(2Z)-2-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788074
2-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788143
2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788008
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
2-(4-chloro-2-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779020
4-propan-2-yl-2-[(2Z)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788013
2-(3-chloro-4-methylanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779009
3-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135773796
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788020
2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one (CID 136788133) is 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(N/N=C\c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NBJSGTIEXJVOFP-IDUWFGFVSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-8(2)12-6-13(21)19-14(18-12)20-17-7-9-3-4-10(15)5-11(9)16/h3-8H,1-2H3,(H2,18,19,20,21)/b17-7-.
What are the key properties of 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 325.20 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136788133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).