[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C15H15FN4O — CID 109249311

IUPAC[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2)nc1)N1CCCC1
InChIInChI=1S/C15H15FN4O/c16-12-3-5-13(6-4-12)19-15-17-9-11(10-18-15)14(21)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H,17,18,19)
InChIKeyZZAFEPASMLXLAI-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.60
Rot. Bonds3

About [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109249311) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID109249311
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2)nc1)N1CCCC1
InChIInChI=1S/C15H15FN4O/c16-12-3-5-13(6-4-12)19-15-17-9-11(10-18-15)14(21)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H,17,18,19)
InChIKeyZZAFEPASMLXLAI-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250086
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
4-[[5-(piperidine-1-carbonyl)pyrimidin-2-yl]amino]benzonitrile
CID 109250082
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250070
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249349
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
[2-(3-bromo-4-methylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249324
1-[4-[2-(4-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254658
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992
[2-(3,4-dimethoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250030
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 109249311) is [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(Nc2ccc(F)cc2)nc1)N1CCCC1.
What is the InChIKey of [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZZAFEPASMLXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-12-3-5-13(6-4-12)19-15-17-9-11(10-18-15)14(21)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H,17,18,19).
What are the key properties of [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 286.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109249311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).