1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol

C15H21N5O2 — CID 138008358

IUPAC1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol
SMILESCOc1nc(C)cc(N2CCC(O)(c3nccn3C)CC2)n1
InChIInChI=1S/C15H21N5O2/c1-11-10-12(18-14(17-11)22-3)20-7-4-15(21,5-8-20)13-16-6-9-19(13)2/h6,9-10,21H,4-5,7-8H2,1-3H3
InChIKeyMWINYYRHAPIEQR-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol

1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol (PubChem CID 138008358) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol
PubChem CID138008358
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol
SMILESCOc1nc(C)cc(N2CCC(O)(c3nccn3C)CC2)n1
InChIInChI=1S/C15H21N5O2/c1-11-10-12(18-14(17-11)22-3)20-7-4-15(21,5-8-20)13-16-6-9-19(13)2/h6,9-10,21H,4-5,7-8H2,1-3H3
InChIKeyMWINYYRHAPIEQR-UHFFFAOYSA-N
XLogP1.02
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol?
The IUPAC name of 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol (CID 138008358) is 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol is COc1nc(C)cc(N2CCC(O)(c3nccn3C)CC2)n1.
What is the InChIKey of 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol?
The InChIKey is MWINYYRHAPIEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-10-12(18-14(17-11)22-3)20-7-4-15(21,5-8-20)13-16-6-9-19(13)2/h6,9-10,21H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol?
1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol has a molecular weight of 303.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylpyrimidin-4-yl)-4-(1-methylimidazol-2-yl)piperidin-4-ol is sourced from PubChem (CID 138008358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).