N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine

C18H15ClN4 — CID 2841967

IUPACN-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
SMILESCc1nc(NN=Cc2ccccc2Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN4/c1-13-21-17(14-7-3-2-4-8-14)11-18(22-13)23-20-12-15-9-5-6-10-16(15)19/h2-12H,1H3,(H,21,22,23)
InChIKeySSOSVQKJDRQIRH-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.55
Rot. Bonds4

About N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine

N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine (PubChem CID 2841967) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
PubChem CID2841967
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
SMILESCc1nc(NN=Cc2ccccc2Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN4/c1-13-21-17(14-7-3-2-4-8-14)11-18(22-13)23-20-12-15-9-5-6-10-16(15)19/h2-12H,1H3,(H,21,22,23)
InChIKeySSOSVQKJDRQIRH-UHFFFAOYSA-N
XLogP4.55
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.55
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

2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 135458790
N-[1-(4-chlorophenyl)ethylideneamino]-2-methyl-6-phenylpyrimidin-4-amine
CID 73320073
N-[(2-chlorophenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 4074619
2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135907237
N-[(2-chlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2849982
2-N-(4-chlorophenyl)-4-N-[(E)-(4-methylphenyl)methylideneamino]-6-phenylpyrimidine-2,4-diamine
CID 58065252
6-chloro-N-[(E)-(2-chlorophenyl)methylideneamino]-3-phenylpyridazin-4-amine
CID 110272746
N-[(2-chlorophenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 44537092
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
N-benzyl-2-methyl-6-phenylpyrimidin-4-amine
CID 16957885
4-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenol
CID 16876818
N-(4-tert-butylphenyl)-2-methyl-6-phenylpyrimidin-4-amine
CID 9151407

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine (CID 2841967) is N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine is Cc1nc(NN=Cc2ccccc2Cl)cc(-c2ccccc2)n1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine?
The InChIKey is SSOSVQKJDRQIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4/c1-13-21-17(14-7-3-2-4-8-14)11-18(22-13)23-20-12-15-9-5-6-10-16(15)19/h2-12H,1H3,(H,21,22,23).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine?
N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine has a molecular weight of 322.80 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2-methyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 2841967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).