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

C15H22FN3O — CID 125138301

IUPAC4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCC([C@@H]3CCCO3)CC2)c1F
InChIInChI=1S/C15H22FN3O/c1-2-12-14(16)15(18-10-17-12)19-7-5-11(6-8-19)13-4-3-9-20-13/h10-11,13H,2-9H2,1H3/t13-/m0/s1
InChIKeyIOCBOYGMOXTLGN-ZDUSSCGKSA-N
MW279.36 g/mol
LogP2.57
Rot. Bonds3

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

4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine (PubChem CID 125138301) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
PubChem CID125138301
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine
SMILESCCc1ncnc(N2CCC([C@@H]3CCCO3)CC2)c1F
InChIInChI=1S/C15H22FN3O/c1-2-12-14(16)15(18-10-17-12)19-7-5-11(6-8-19)13-4-3-9-20-13/h10-11,13H,2-9H2,1H3/t13-/m0/s1
InChIKeyIOCBOYGMOXTLGN-ZDUSSCGKSA-N
XLogP2.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine-2-carbonitrile
CID 103880094
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 136534406
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
CID 133420422
4-ethyl-5-fluoro-6-[3-(2-methylpropyl)piperidin-1-yl]pyrimidine
CID 133420014
(3aS,5S,7aR)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 139014297
4-cyclopropyl-5-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 163343474
4-benzyl-6-(6-ethyl-5-fluoropyrimidin-4-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133420207
4-ethyl-5-fluoro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 155974017
4-ethyl-5-fluoro-6-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 133418605
(4R,5S)-7-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methoxy-7-azaspiro[4.5]decane
CID 135106997

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine (CID 125138301) is 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine is CCc1ncnc(N2CCC([C@@H]3CCCO3)CC2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine?
The InChIKey is IOCBOYGMOXTLGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-12-14(16)15(18-10-17-12)19-7-5-11(6-8-19)13-4-3-9-20-13/h10-11,13H,2-9H2,1H3/t13-/m0/s1.
What are the key properties of 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine?
4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine has a molecular weight of 279.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-[4-[(2S)-oxolan-2-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 125138301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).