1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone

C19H17FN4O — CID 112877826

IUPAC1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(Nc3ccccc3F)nc(C)n2)c1
InChIInChI=1S/C19H17FN4O/c1-12(25)14-6-5-7-15(10-14)23-18-11-19(22-13(2)21-18)24-17-9-4-3-8-16(17)20/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyMEBSAFJODNNQFQ-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.61
Rot. Bonds5

About 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone

1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone (PubChem CID 112877826) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
PubChem CID112877826
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
SMILESCC(=O)c1cccc(Nc2cc(Nc3ccccc3F)nc(C)n2)c1
InChIInChI=1S/C19H17FN4O/c1-12(25)14-6-5-7-15(10-14)23-18-11-19(22-13(2)21-18)24-17-9-4-3-8-16(17)20/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyMEBSAFJODNNQFQ-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865643
1-[3-[[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112877552
4-N-(2-fluorophenyl)-2-methyl-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112877027
6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850806
6-N-(3,4-difluorophenyl)-4-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877862
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
1-[3-[[6-(butan-2-ylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112868357
4-N-(2-fluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80761101
3-[[6-(4-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193456
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
1-[3-[[6-(2,3,4-trifluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866661

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone (CID 112877826) is 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone is CC(=O)c1cccc(Nc2cc(Nc3ccccc3F)nc(C)n2)c1.
What is the InChIKey of 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone?
The InChIKey is MEBSAFJODNNQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-12(25)14-6-5-7-15(10-14)23-18-11-19(22-13(2)21-18)24-17-9-4-3-8-16(17)20/h3-11H,1-2H3,(H2,21,22,23,24).
What are the key properties of 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone?
1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone has a molecular weight of 336.37 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone is sourced from PubChem (CID 112877826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).