4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine

C15H19FN4 — CID 80852205

IUPAC4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCc2cc(C)c(F)c(C)c2)n1
InChIInChI=1S/C15H19FN4/c1-9-5-12(6-10(2)14(9)16)8-18-13-7-11(3)19-15(17-4)20-13/h5-7H,8H2,1-4H3,(H2,17,18,19,20)
InChIKeySJLKECZFNURQTJ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.19
Rot. Bonds4

About 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 80852205) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID80852205
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCc2cc(C)c(F)c(C)c2)n1
InChIInChI=1S/C15H19FN4/c1-9-5-12(6-10(2)14(9)16)8-18-13-7-11(3)19-15(17-4)20-13/h5-7H,8H2,1-4H3,(H2,17,18,19,20)
InChIKeySJLKECZFNURQTJ-UHFFFAOYSA-N
XLogP3.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80833016
4-[[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80822833
4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80852360
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
2-N,6-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 80839141
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917530
2-N,6-dimethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147401
6-methyl-4-N-[(4-methylphenyl)methyl]-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112916470

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine (CID 80852205) is 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(NCc2cc(C)c(F)c(C)c2)n1.
What is the InChIKey of 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is SJLKECZFNURQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-9-5-12(6-10(2)14(9)16)8-18-13-7-11(3)19-15(17-4)20-13/h5-7H,8H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80852205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).