1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol

C15H23N3O2 — CID 56878794

IUPAC1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
SMILESCc1cc(C2CCC2)nc(N2CCC(O)(CO)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-11-9-13(12-3-2-4-12)17-14(16-11)18-7-5-15(20,10-19)6-8-18/h9,12,19-20H,2-8,10H2,1H3
InChIKeyKQCQJIHQKRPLEL-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.38
Rot. Bonds3

About 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol

1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol (PubChem CID 56878794) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
PubChem CID56878794
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
SMILESCc1cc(C2CCC2)nc(N2CCC(O)(CO)CC2)n1
InChIInChI=1S/C15H23N3O2/c1-11-9-13(12-3-2-4-12)17-14(16-11)18-7-5-15(20,10-19)6-8-18/h9,12,19-20H,2-8,10H2,1H3
InChIKeyKQCQJIHQKRPLEL-UHFFFAOYSA-N
XLogP1.38
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol (CID 56878794) is 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol is Cc1cc(C2CCC2)nc(N2CCC(O)(CO)CC2)n1.
What is the InChIKey of 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
The InChIKey is KQCQJIHQKRPLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-9-13(12-3-2-4-12)17-14(16-11)18-7-5-15(20,10-19)6-8-18/h9,12,19-20H,2-8,10H2,1H3.
What are the key properties of 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol?
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol has a molecular weight of 277.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 56878794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).