1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol

C16H23N5O — CID 50977781

IUPAC1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESCCc1cnc(C)nc1N1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C16H23N5O/c1-3-14-10-18-13(2)19-15(14)21-7-4-16(22,5-8-21)11-20-9-6-17-12-20/h6,9-10,12,22H,3-5,7-8,11H2,1-2H3
InChIKeyFNSDBVFQFWFWLA-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.58
Rot. Bonds4

About 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol

1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol (PubChem CID 50977781) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
PubChem CID50977781
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESCCc1cnc(C)nc1N1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C16H23N5O/c1-3-14-10-18-13(2)19-15(14)21-7-4-16(22,5-8-21)11-20-9-6-17-12-20/h6,9-10,12,22H,3-5,7-8,11H2,1-2H3
InChIKeyFNSDBVFQFWFWLA-UHFFFAOYSA-N
XLogP1.58
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol (CID 50977781) is 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol is CCc1cnc(C)nc1N1CCC(O)(Cn2ccnc2)CC1.
What is the InChIKey of 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The InChIKey is FNSDBVFQFWFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-14-10-18-13(2)19-15(14)21-7-4-16(22,5-8-21)11-20-9-6-17-12-20/h6,9-10,12,22H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol?
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol has a molecular weight of 301.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 50977781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).