[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol

C17H22N4O — CID 95337185

IUPAC[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCCc1cc(N2CCC[C@H](CO)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H22N4O/c1-2-15-10-16(21-9-3-4-13(11-21)12-22)20-17(19-15)14-5-7-18-8-6-14/h5-8,10,13,22H,2-4,9,11-12H2,1H3/t13-/m0/s1
InChIKeyZVFZKPGHGIFQHX-ZDUSSCGKSA-N
MW298.39 g/mol
LogP2.31
Rot. Bonds4

About [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol

[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 95337185) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID95337185
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCCc1cc(N2CCC[C@H](CO)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H22N4O/c1-2-15-10-16(21-9-3-4-13(11-21)12-22)20-17(19-15)14-5-7-18-8-6-14/h5-8,10,13,22H,2-4,9,11-12H2,1H3/t13-/m0/s1
InChIKeyZVFZKPGHGIFQHX-ZDUSSCGKSA-N
XLogP2.31
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6-ethyl-2-pyridin-4-ylpyrimidine
CID 133295012
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 133294107
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 113380422
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 133314479

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 95337185) is [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol is CCc1cc(N2CCC[C@H](CO)C2)nc(-c2ccncc2)n1.
What is the InChIKey of [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is ZVFZKPGHGIFQHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-15-10-16(21-9-3-4-13(11-21)12-22)20-17(19-15)14-5-7-18-8-6-14/h5-8,10,13,22H,2-4,9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol?
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 298.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 95337185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).