1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol

C12H19N3O2 — CID 56755831

IUPAC1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
SMILESCCc1cnc(N2CCC(O)(CO)CC2)nc1
InChIInChI=1S/C12H19N3O2/c1-2-10-7-13-11(14-8-10)15-5-3-12(17,9-16)4-6-15/h7-8,16-17H,2-6,9H2,1H3
InChIKeyXAESAIOFHPGLAD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.36
Rot. Bonds3

About 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol

1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol (PubChem CID 56755831) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
PubChem CID56755831
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
SMILESCCc1cnc(N2CCC(O)(CO)CC2)nc1
InChIInChI=1S/C12H19N3O2/c1-2-10-7-13-11(14-8-10)15-5-3-12(17,9-16)4-6-15/h7-8,16-17H,2-6,9H2,1H3
InChIKeyXAESAIOFHPGLAD-UHFFFAOYSA-N
XLogP0.36
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
7-(5-ethylpyrimidin-2-yl)-2-methoxy-7-azaspiro[3.5]nonane
CID 97451274
ethane;5-ethyl-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 145380251
5-ethyl-2-(4-propylpiperazin-1-yl)pyrimidine
CID 168923337
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
CID 58567804
8-(5-ethylpyrimidin-2-yl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131649217
2-(5-ethylpyrimidin-2-yl)-9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 134077441
(3R,4R)-4-(hydroxymethyl)-4-propyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
CID 155911912
2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 56756393
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
N-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylacetamide
CID 154582448

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol (CID 56755831) is 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol is CCc1cnc(N2CCC(O)(CO)CC2)nc1.
What is the InChIKey of 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The InChIKey is XAESAIOFHPGLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-10-7-13-11(14-8-10)15-5-3-12(17,9-16)4-6-15/h7-8,16-17H,2-6,9H2,1H3.
What are the key properties of 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol has a molecular weight of 237.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 56755831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).