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

C23H19FN4O — CID 112931850

IUPAC2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C23H19FN4O/c1-16-14-22(28-23(25-16)27-19-7-5-6-17(24)15-19)26-18-10-12-21(13-11-18)29-20-8-3-2-4-9-20/h2-15H,1H3,(H2,25,26,27,28)
InChIKeyWJEIPTONROFSRN-UHFFFAOYSA-N
MW386.43 g/mol
LogP6.20
Rot. Bonds6

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

2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112931850) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112931850
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C23H19FN4O/c1-16-14-22(28-23(25-16)27-19-7-5-6-17(24)15-19)26-18-10-12-21(13-11-18)29-20-8-3-2-4-9-20/h2-15H,1H3,(H2,25,26,27,28)
InChIKeyWJEIPTONROFSRN-UHFFFAOYSA-N
XLogP6.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
2-N-(4-tert-butylphenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929285
4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931888
2-N-(3-bromophenyl)-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931864
1-[4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112931474
4-[[4-methyl-6-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112931853
2-N-[4-(diethylamino)phenyl]-4-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112931751
4-N-(2,6-dimethylphenyl)-2-N-(3-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112928394
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
2-N-(3-bromophenyl)-4-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929488
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
3-fluoro-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478724

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112931850) is 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Oc3ccccc3)cc2)nc(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is WJEIPTONROFSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-16-14-22(28-23(25-16)27-19-7-5-6-17(24)15-19)26-18-10-12-21(13-11-18)29-20-8-3-2-4-9-20/h2-15H,1H3,(H2,25,26,27,28).
What are the key properties of 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine?
2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 386.43 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-6-methyl-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112931850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).