4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

C19H18ClFN4 — CID 112926472

IUPAC4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCc2cccc(Cl)c2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C19H18ClFN4/c1-13-11-18(22-10-9-14-5-4-6-15(20)12-14)25-19(23-13)24-17-8-3-2-7-16(17)21/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,25)
InChIKeyWUKSAFYQIJBNEP-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.98
Rot. Bonds6

About 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112926472) has the molecular formula C19H18ClFN4 and a molecular weight of 356.83 g/mol. Its IUPAC name is 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112926472
Molecular FormulaC19H18ClFN4
Molecular Weight356.83 g/mol
Exact Mass356.12
IUPAC Name4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCCc2cccc(Cl)c2)nc(Nc2ccccc2F)n1
InChIInChI=1S/C19H18ClFN4/c1-13-11-18(22-10-9-14-5-4-6-15(20)12-14)25-19(23-13)24-17-8-3-2-7-16(17)21/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,25)
InChIKeyWUKSAFYQIJBNEP-UHFFFAOYSA-N
XLogP4.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
2-N-(4-chlorophenyl)-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112926476
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926473
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112926552
2-N-[2-(3-chlorophenyl)ethyl]-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917241
2-N-(2-chlorophenyl)-4-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922623
2-N-tert-butyl-4-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924756
2-N-(3-chlorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920785
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112912860
2-N-(4-chlorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920094
2-N-(3-chloro-4-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920099

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112926472) is 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(NCCc2cccc(Cl)c2)nc(Nc2ccccc2F)n1.
What is the InChIKey of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is WUKSAFYQIJBNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4/c1-13-11-18(22-10-9-14-5-4-6-15(20)12-14)25-19(23-13)24-17-8-3-2-7-16(17)21/h2-8,11-12H,9-10H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 356.83 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).