1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol

C16H24N6O2 — CID 154761250

IUPAC1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
SMILESCOc1nc(C)nc(N2CCCC(O)(Cc3nncn3C)C2)c1C
InChIInChI=1S/C16H24N6O2/c1-11-14(18-12(2)19-15(11)24-4)22-7-5-6-16(23,9-22)8-13-20-17-10-21(13)3/h10,23H,5-9H2,1-4H3
InChIKeyWDPUIELMCSITTC-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.80
Rot. Bonds4

About 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol

1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol (PubChem CID 154761250) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
PubChem CID154761250
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
SMILESCOc1nc(C)nc(N2CCCC(O)(Cc3nncn3C)C2)c1C
InChIInChI=1S/C16H24N6O2/c1-11-14(18-12(2)19-15(11)24-4)22-7-5-6-16(23,9-22)8-13-20-17-10-21(13)3/h10,23H,5-9H2,1-4H3
InChIKeyWDPUIELMCSITTC-UHFFFAOYSA-N
XLogP0.80
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol (CID 154761250) is 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol is COc1nc(C)nc(N2CCCC(O)(Cc3nncn3C)C2)c1C.
What is the InChIKey of 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
The InChIKey is WDPUIELMCSITTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11-14(18-12(2)19-15(11)24-4)22-7-5-6-16(23,9-22)8-13-20-17-10-21(13)3/h10,23H,5-9H2,1-4H3.
What are the key properties of 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol?
1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol has a molecular weight of 332.41 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 154761250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).