4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine

C15H20FN5 — CID 124885111

IUPAC4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCCC[C@H]2c2ccnn2C)c1F
InChIInChI=1S/C15H20FN5/c1-3-11-14(16)15(18-10-17-11)21-9-5-4-6-13(21)12-7-8-19-20(12)2/h7-8,10,13H,3-6,9H2,1-2H3/t13-/m0/s1
InChIKeyCBYAIHVOTWOTAK-ZDUSSCGKSA-N
MW289.36 g/mol
LogP2.64
Rot. Bonds3

About 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine

4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine (PubChem CID 124885111) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
PubChem CID124885111
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCCC[C@H]2c2ccnn2C)c1F
InChIInChI=1S/C15H20FN5/c1-3-11-14(16)15(18-10-17-11)21-9-5-4-6-13(21)12-7-8-19-20(12)2/h7-8,10,13H,3-6,9H2,1-2H3/t13-/m0/s1
InChIKeyCBYAIHVOTWOTAK-ZDUSSCGKSA-N
XLogP2.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]propan-2-amine
CID 112748054
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 128981640
4-(2-methylpropyl)-6-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]pyrimidine
CID 138019723
4-ethyl-5-fluoro-6-[2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75438009
(2R,6S)-4-[[(2S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine
CID 99714419
(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine
CID 100705115
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
CID 133420422
[1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methylpiperidin-2-yl]methanamine
CID 114045745
5-[[2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905712
4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
CID 125138301
[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434880

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine (CID 124885111) is 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine is CCc1ncnc(N2CCCC[C@H]2c2ccnn2C)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine?
The InChIKey is CBYAIHVOTWOTAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20FN5/c1-3-11-14(16)15(18-10-17-11)21-9-5-4-6-13(21)12-7-8-19-20(12)2/h7-8,10,13H,3-6,9H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine has a molecular weight of 289.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 124885111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).