4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine

C18H28N6 — CID 122138214

IUPAC4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(N2CCCC(c3nncn3C)C2)nc(C(C)C)n1
InChIInChI=1S/C18H28N6/c1-12(2)15-9-16(21-17(20-15)13(3)4)24-8-6-7-14(10-24)18-22-19-11-23(18)5/h9,11-14H,6-8,10H2,1-5H3
InChIKeyCUIHSQAGFKBPDH-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.24
Rot. Bonds4

About 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine

4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine (PubChem CID 122138214) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine
PubChem CID122138214
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(N2CCCC(c3nncn3C)C2)nc(C(C)C)n1
InChIInChI=1S/C18H28N6/c1-12(2)15-9-16(21-17(20-15)13(3)4)24-8-6-7-14(10-24)18-22-19-11-23(18)5/h9,11-14H,6-8,10H2,1-5H3
InChIKeyCUIHSQAGFKBPDH-UHFFFAOYSA-N
XLogP3.24
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine (CID 122138214) is 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine is CC(C)c1cc(N2CCCC(c3nncn3C)C2)nc(C(C)C)n1.
What is the InChIKey of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine?
The InChIKey is CUIHSQAGFKBPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-12(2)15-9-16(21-17(20-15)13(3)4)24-8-6-7-14(10-24)18-22-19-11-23(18)5/h9,11-14H,6-8,10H2,1-5H3.
What are the key properties of 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine?
4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine has a molecular weight of 328.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 122138214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).