4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine

C13H12FN3 — CID 20585932

IUPAC4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine
SMILESC=Cc1nc(Nc2ccccc2)nc(C)c1F
InChIInChI=1S/C13H12FN3/c1-3-11-12(14)9(2)15-13(17-11)16-10-7-5-4-6-8-10/h3-8H,1H2,2H3,(H,15,16,17)
InChIKeyFHIOPFLAUADTGI-UHFFFAOYSA-N
MW229.26 g/mol
LogP3.31
Rot. Bonds3

About 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine

4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine (PubChem CID 20585932) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine
PubChem CID20585932
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine
SMILESC=Cc1nc(Nc2ccccc2)nc(C)c1F
InChIInChI=1S/C13H12FN3/c1-3-11-12(14)9(2)15-13(17-11)16-10-7-5-4-6-8-10/h3-8H,1H2,2H3,(H,15,16,17)
InChIKeyFHIOPFLAUADTGI-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
2-anilino-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 16583938
4-methyl-N-phenyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 20585928
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
bis(4-chloro-6-methyl-N-phenyl-1,3,5-triazin-2-amine);ethane
CID 159104924
4-[(Z)-2-chloroprop-1-enyl]-6-methyl-N-phenylpyrimidin-2-amine
CID 100952374
2-N-(3-fluorophenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926861
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
[4-[[4-anilino-6-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]anilino]-1,3,5-triazin-2-yl]amino]phenyl] prop-2-enoate
CID 155065684
N-phenyl-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 104609384
2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 135611721
3,6-difluoro-1-N,2-N,4-N,5-N-tetraphenylbenzene-1,2,4,5-tetramine
CID 101426182

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine (CID 20585932) is 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine is C=Cc1nc(Nc2ccccc2)nc(C)c1F.
What is the InChIKey of 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine?
The InChIKey is FHIOPFLAUADTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c1-3-11-12(14)9(2)15-13(17-11)16-10-7-5-4-6-8-10/h3-8H,1H2,2H3,(H,15,16,17).
What are the key properties of 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine?
4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine has a molecular weight of 229.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-fluoro-6-methyl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 20585932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).