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

C17H13Cl2FN4 — CID 112929426

IUPAC4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C17H13Cl2FN4/c1-10-8-16(22-11-6-7-12(18)13(19)9-11)24-17(21-10)23-15-5-3-2-4-14(15)20/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyIAIJCYIZHYYRKN-UHFFFAOYSA-N
MW363.22 g/mol
LogP5.72
Rot. Bonds4

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

4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112929426) has the molecular formula C17H13Cl2FN4 and a molecular weight of 363.22 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112929426
Molecular FormulaC17H13Cl2FN4
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Cl)c(Cl)c2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C17H13Cl2FN4/c1-10-8-16(22-11-6-7-12(18)13(19)9-11)24-17(21-10)23-15-5-3-2-4-14(15)20/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyIAIJCYIZHYYRKN-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-(3-chloro-4-fluorophenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929302
4-N-(3,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917453
2-N-(3,4-dichlorophenyl)-4-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932110
2-N-(4-bromo-3-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929342
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
4-N-(3-chloro-4-methylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930108
N-(3,4-dichlorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80926388
2-N-(3-chloro-4-methylphenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930142
4-N-(3-chloro-4-methylphenyl)-2-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112930110
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929358
2-N-(2-bromophenyl)-4-N-(3,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931941

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112929426) is 4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Cl)c(Cl)c2)nc(Nc2ccccc2F)n1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is IAIJCYIZHYYRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN4/c1-10-8-16(22-11-6-7-12(18)13(19)9-11)24-17(21-10)23-15-5-3-2-4-14(15)20/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(3,4-dichlorophenyl)-2-N-(2-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-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112929426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).