[(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol

C15H26N4O — CID 95122373

IUPAC[(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol
SMILESCCc1cc(N2CCC[C@](C)(CO)C2)nc(N(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-12-9-13(17-14(16-12)18(3)4)19-8-6-7-15(2,10-19)11-20/h9,20H,5-8,10-11H2,1-4H3/t15-/m0/s1
InChIKeyUOGOAJHHCNMUIL-HNNXBMFYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds4

About [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol

[(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol (PubChem CID 95122373) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol
PubChem CID95122373
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol
SMILESCCc1cc(N2CCC[C@](C)(CO)C2)nc(N(C)C)n1
InChIInChI=1S/C15H26N4O/c1-5-12-9-13(17-14(16-12)18(3)4)19-8-6-7-15(2,10-19)11-20/h9,20H,5-8,10-11H2,1-4H3/t15-/m0/s1
InChIKeyUOGOAJHHCNMUIL-HNNXBMFYSA-N
XLogP1.70
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol (CID 95122373) is [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol is CCc1cc(N2CCC[C@](C)(CO)C2)nc(N(C)C)n1.
What is the InChIKey of [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol?
The InChIKey is UOGOAJHHCNMUIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-12-9-13(17-14(16-12)18(3)4)19-8-6-7-15(2,10-19)11-20/h9,20H,5-8,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol?
[(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 95122373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).