N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine

C12H11ClN4 — CID 21237326

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine
SMILESCc1cc(N/N=C/c2ccc(Cl)cc2)ncn1
InChIInChI=1S/C12H11ClN4/c1-9-6-12(15-8-14-9)17-16-7-10-2-4-11(13)5-3-10/h2-8H,1H3,(H,14,15,17)/b16-7+
InChIKeyOSIATDFEJSZZTB-FRKPEAEDSA-N
MW246.70 g/mol
LogP2.88
Rot. Bonds3

About N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine

N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine (PubChem CID 21237326) has the molecular formula C12H11ClN4 and a molecular weight of 246.70 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine
PubChem CID21237326
Molecular FormulaC12H11ClN4
Molecular Weight246.70 g/mol
Exact Mass246.07
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine
SMILESCc1cc(N/N=C/c2ccc(Cl)cc2)ncn1
InChIInChI=1S/C12H11ClN4/c1-9-6-12(15-8-14-9)17-16-7-10-2-4-11(13)5-3-10/h2-8H,1H3,(H,14,15,17)/b16-7+
InChIKeyOSIATDFEJSZZTB-FRKPEAEDSA-N
XLogP2.88
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 52.88
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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Related Compounds

4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine
CID 86279724
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
4-N-(4-chlorophenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
CID 143789926
6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
CID 3769434
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
CID 3106990
6-chloro-4-N-[(4-methylphenyl)methylideneamino]pyrimidine-2,4-diamine
CID 137318867
3-[[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 155673726
N-[(E)-(4-chlorophenyl)methylideneamino]-2,8-dimethylquinolin-4-amine
CID 45481194
8-N-(3-chlorophenyl)-4-N-[(4-chlorophenyl)methylideneamino]pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 169260201
6-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenylpyridazin-3-amine
CID 139227329
N-[(4-chlorophenyl)methylideneamino]-6-(3-methylpentan-3-yl)pyridazin-3-amine
CID 70432124
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine (CID 21237326) is N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine is Cc1cc(N/N=C/c2ccc(Cl)cc2)ncn1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine?
The InChIKey is OSIATDFEJSZZTB-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H11ClN4/c1-9-6-12(15-8-14-9)17-16-7-10-2-4-11(13)5-3-10/h2-8H,1H3,(H,14,15,17)/b16-7+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine?
N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine has a molecular weight of 246.70 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 21237326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).