N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

C13H13ClN4 — CID 6323091

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN4/c1-9-7-10(2)17-13(16-9)18-15-8-11-5-3-4-6-12(11)14/h3-8H,1-2H3,(H,16,17,18)/b15-8+
InChIKeyCKWJUXRJAWRVRI-OVCLIPMQSA-N
MW260.73 g/mol
LogP3.19
Rot. Bonds3

About N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 6323091) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID6323091
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2ccccc2Cl)n1
InChIInChI=1S/C13H13ClN4/c1-9-7-10(2)17-13(16-9)18-15-8-11-5-3-4-6-12(11)14/h3-8H,1-2H3,(H,16,17,18)/b15-8+
InChIKeyCKWJUXRJAWRVRI-OVCLIPMQSA-N
XLogP3.19
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 53.19
H-Bond Donors ≤ 51
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 N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 6323091) is N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N/N=C/c2ccccc2Cl)n1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is CKWJUXRJAWRVRI-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H13ClN4/c1-9-7-10(2)17-13(16-9)18-15-8-11-5-3-4-6-12(11)14/h3-8H,1-2H3,(H,16,17,18)/b15-8+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 260.73 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 6323091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).