4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

C19H18ClFN4 — CID 112917412

IUPAC4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(NCc2ccccc2F)n1
InChIInChI=1S/C19H18ClFN4/c1-12-7-8-15(10-16(12)20)24-18-9-13(2)23-19(25-18)22-11-14-5-3-4-6-17(14)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25)
InChIKeyPPONDBCUXYYNSH-UHFFFAOYSA-N
MW356.83 g/mol
LogP5.24
Rot. Bonds5

About 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112917412) has the molecular formula C19H18ClFN4 and a molecular weight of 356.83 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112917412
Molecular FormulaC19H18ClFN4
Molecular Weight356.83 g/mol
Exact Mass356.12
IUPAC Name4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C)c(Cl)c2)nc(NCc2ccccc2F)n1
InChIInChI=1S/C19H18ClFN4/c1-12-7-8-15(10-16(12)20)24-18-9-13(2)23-19(25-18)22-11-14-5-3-4-6-17(14)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25)
InChIKeyPPONDBCUXYYNSH-UHFFFAOYSA-N
XLogP5.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.83
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917453
2-N-[(2-fluorophenyl)methyl]-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112917419
4-N-(4-chlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920686
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
3-[[2-[(2-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194431
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112917401
2-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328586
2-N-[(2-chlorophenyl)methyl]-6-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112917931
4-N-(3,4-dichlorophenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929426
4-N-(3-chloro-4-methylphenyl)-6-methyl-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112930108
2-N-(2,3-dichlorophenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917319

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112917412) is 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccc(C)c(Cl)c2)nc(NCc2ccccc2F)n1.
What is the InChIKey of 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is PPONDBCUXYYNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4/c1-12-7-8-15(10-16(12)20)24-18-9-13(2)23-19(25-18)22-11-14-5-3-4-6-17(14)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
4-N-(3-chloro-4-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 356.83 g/mol, XLogP of 5.24, 5 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-methylphenyl)-2-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112917412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).