4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine

C11H10ClFN4 — CID 2730122

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(F)c(Cl)c2)nc(N)n1
InChIInChI=1S/C11H10ClFN4/c1-6-4-10(17-11(14)15-6)16-7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyKULBALYSACWIEU-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.90
Rot. Bonds2

About 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 2730122) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID2730122
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(F)c(Cl)c2)nc(N)n1
InChIInChI=1S/C11H10ClFN4/c1-6-4-10(17-11(14)15-6)16-7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H3,14,15,16,17)
InChIKeyKULBALYSACWIEU-UHFFFAOYSA-N
XLogP2.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimethanil
CID 91650
1-(4,6-Dimethyl-2-pyrimidinyl)-3-phenylguanidine
CID 9570316
1-(4-Chloro-6-methylpyrimidin-2-yl)-3-(3-chlorophenyl)urea
CID 2306588
N4-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2730123
[6-Methyl-2-(phenylamino)pyrimidin-4-yl]phenylamine
CID 673737
Urea, 1-(p-chlorophenyl)-3-(4,6-dimethyl-2-pyrimidinyl)-
CID 204267
GUANIDINE, 1-(p-CHLOROPHENYL)-3-(4,6-DIMETHYL-2-PYRIMIDINYL)-
CID 5726586
N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 735909
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine
CID 697235
Dimethyl[6-methyl-2-(phenylamino)pyrimidin-4-yl]amine
CID 718645
(4,6-Dimethyl-pyrimidin-2-yl)-(2-fluoro-phenyl)-amine
CID 16804589
1-(3-chloro-4-fluorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-4H-imidazol-5-one
CID 714358

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 2730122) is 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(F)c(Cl)c2)nc(N)n1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is KULBALYSACWIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-6-4-10(17-11(14)15-6)16-7-2-3-9(13)8(12)5-7/h2-5H,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 252.68 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 2730122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).