4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine

C13H18N6O — CID 36784649

IUPAC4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(c3nncn3C)CC2)n1
InChIInChI=1S/C13H18N6O/c1-18-9-15-17-12(18)10-4-7-19(8-5-10)13-14-6-3-11(16-13)20-2/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyPWYWKEDEQJYFAM-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.00
Rot. Bonds3

About 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine

4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine (PubChem CID 36784649) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
PubChem CID36784649
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCC(c3nncn3C)CC2)n1
InChIInChI=1S/C13H18N6O/c1-18-9-15-17-12(18)10-4-7-19(8-5-10)13-14-6-3-11(16-13)20-2/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyPWYWKEDEQJYFAM-UHFFFAOYSA-N
XLogP1.00
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine (CID 36784649) is 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine is COc1ccnc(N2CCC(c3nncn3C)CC2)n1.
What is the InChIKey of 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
The InChIKey is PWYWKEDEQJYFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-18-9-15-17-12(18)10-4-7-19(8-5-10)13-14-6-3-11(16-13)20-2/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine?
4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine has a molecular weight of 274.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 36784649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).