4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine

C15H21N7 — CID 166260402

IUPAC4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCC(c3n[nH]c(C4CC4)n3)C2)nc(N)n1
InChIInChI=1S/C15H21N7/c1-9-7-12(18-15(16)17-9)22-6-2-3-11(8-22)14-19-13(20-21-14)10-4-5-10/h7,10-11H,2-6,8H2,1H3,(H2,16,17,18)(H,19,20,21)
InChIKeyOTPHTISAIWNVGO-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.75
Rot. Bonds3

About 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine

4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine (PubChem CID 166260402) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
PubChem CID166260402
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCC(c3n[nH]c(C4CC4)n3)C2)nc(N)n1
InChIInChI=1S/C15H21N7/c1-9-7-12(18-15(16)17-9)22-6-2-3-11(8-22)14-19-13(20-21-14)10-4-5-10/h7,10-11H,2-6,8H2,1H3,(H2,16,17,18)(H,19,20,21)
InChIKeyOTPHTISAIWNVGO-UHFFFAOYSA-N
XLogP1.75
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine (CID 166260402) is 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine is Cc1cc(N2CCCC(c3n[nH]c(C4CC4)n3)C2)nc(N)n1.
What is the InChIKey of 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
The InChIKey is OTPHTISAIWNVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-9-7-12(18-15(16)17-9)22-6-2-3-11(8-22)14-19-13(20-21-14)10-4-5-10/h7,10-11H,2-6,8H2,1H3,(H2,16,17,18)(H,19,20,21).
What are the key properties of 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine?
4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 166260402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).