4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

C19H18F2N4 — CID 112916596

IUPAC4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(C)cc(Nc3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C19H18F2N4/c1-12-3-5-14(6-4-12)11-22-19-23-13(2)9-18(25-19)24-17-8-7-15(20)10-16(17)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25)
InChIKeyQMOCYHQFFHUIRS-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.73
Rot. Bonds5

About 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112916596) has the molecular formula C19H18F2N4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112916596
Molecular FormulaC19H18F2N4
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(C)cc(Nc3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C19H18F2N4/c1-12-3-5-14(6-4-12)11-22-19-23-13(2)9-18(25-19)24-17-8-7-15(20)10-16(17)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25)
InChIKeyQMOCYHQFFHUIRS-UHFFFAOYSA-N
XLogP4.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,4-difluorophenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948848
4-N-[(4-chlorophenyl)methyl]-2-N-(2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112918052
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
4-N-(2,5-dimethylphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916535
4-N-(3,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916608
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112916470
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920870
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917733
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919930
4-N-(2,5-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920871
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine (CID 112916596) is 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is Cc1ccc(CNc2nc(C)cc(Nc3ccc(F)cc3F)n2)cc1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is QMOCYHQFFHUIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4/c1-12-3-5-14(6-4-12)11-22-19-23-13(2)9-18(25-19)24-17-8-7-15(20)10-16(17)21/h3-10H,11H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine?
4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 340.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112916596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).