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

C17H13Cl2FN4 — CID 112931912

IUPAC4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2Cl)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C17H13Cl2FN4/c1-10-8-15(23-14-7-3-6-13(18)16(14)19)24-17(21-10)22-12-5-2-4-11(20)9-12/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyLWSKNEZIMMXRHL-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.72
Rot. Bonds4

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

4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112931912) has the molecular formula C17H13Cl2FN4 and a molecular weight of 363.22 g/mol. Its IUPAC name is 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112931912
Molecular FormulaC17H13Cl2FN4
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(Cl)c2Cl)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C17H13Cl2FN4/c1-10-8-15(23-14-7-3-6-13(18)16(14)19)24-17(21-10)22-12-5-2-4-11(20)9-12/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyLWSKNEZIMMXRHL-UHFFFAOYSA-N
XLogP5.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.22
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1,3-benzodioxol-5-yl)-4-N-(2,3-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932017
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
4-[[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932246
4-N-(2,6-dimethylphenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928394
2-N-(3-bromophenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931864
3-N-(2,3-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969089
2-N-(4-tert-butylphenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929285
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929302
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110
4-N-(3-fluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931870
N-(3-chloro-2-methylphenyl)-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337215
4-N-(3-chloro-2-methylphenyl)-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927418

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112931912) is 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc(Cl)c2Cl)nc(Nc2cccc(F)c2)n1.
What is the InChIKey of 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is LWSKNEZIMMXRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN4/c1-10-8-15(23-14-7-3-6-13(18)16(14)19)24-17(21-10)22-12-5-2-4-11(20)9-12/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 363.22 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112931912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).