2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine

C17H15FN4 — CID 112926861

IUPAC2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C17H15FN4/c1-12-10-16(20-14-7-3-2-4-8-14)22-17(19-12)21-15-9-5-6-13(18)11-15/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyODZGXDWFPYWKET-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.41
Rot. Bonds4

About 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine

2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112926861) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112926861
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C17H15FN4/c1-12-10-16(20-14-7-3-2-4-8-14)22-17(19-12)21-15-9-5-6-13(18)11-15/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyODZGXDWFPYWKET-UHFFFAOYSA-N
XLogP4.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931850
2-N-(4-tert-butylphenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929285
2-N-(3-bromophenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931864
4-N-(2,6-dimethylphenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928394
4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931888
1-[4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112931474
2-N-[4-(diethylamino)phenyl]-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931751
2-N-(3-bromophenyl)-4-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929488
4-N-(2,3-dichlorophenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931912
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
4-N-(3-fluorophenyl)-6-methyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931870

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 112926861) is 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2)nc(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is ODZGXDWFPYWKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c1-12-10-16(20-14-7-3-2-4-8-14)22-17(19-12)21-15-9-5-6-13(18)11-15/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 294.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112926861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).