[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

C17H19FN4O — CID 109264391

IUPAC[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(Nc3cccc(F)c3)nc2)C1
InChIInChI=1S/C17H19FN4O/c1-12-4-3-7-22(11-12)16(23)13-9-19-17(20-10-13)21-15-6-2-5-14(18)8-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,19,20,21)
InChIKeyPJFGCPBKMJNJRW-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.23
Rot. Bonds3

About [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109264391) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109264391
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(Nc3cccc(F)c3)nc2)C1
InChIInChI=1S/C17H19FN4O/c1-12-4-3-7-22(11-12)16(23)13-9-19-17(20-10-13)21-15-6-2-5-14(18)8-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,19,20,21)
InChIKeyPJFGCPBKMJNJRW-UHFFFAOYSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264341
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264337
N-[3-[[5-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109161758
[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262152
(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110489762
[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249984
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362
[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 56867801
methyl 3-[[5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109249344

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 109264391) is [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnc(Nc3cccc(F)c3)nc2)C1.
What is the InChIKey of [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PJFGCPBKMJNJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-12-4-3-7-22(11-12)16(23)13-9-19-17(20-10-13)21-15-6-2-5-14(18)8-15/h2,5-6,8-10,12H,3-4,7,11H2,1H3,(H,19,20,21).
What are the key properties of [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 314.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109264391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).