N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine

C16H25N7 — CID 56707674

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCCn1ncnc1C(C)Nc1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C16H25N7/c1-4-23-16(18-10-19-23)11(2)20-15-9-14(21-12(3)22-15)13-5-7-17-8-6-13/h9-11,13,17H,4-8H2,1-3H3,(H,20,21,22)
InChIKeyARFCOUJCLPNSIT-UHFFFAOYSA-N
MW315.43 g/mol
LogP2.04
Rot. Bonds5

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 56707674) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID56707674
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCCn1ncnc1C(C)Nc1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C16H25N7/c1-4-23-16(18-10-19-23)11(2)20-15-9-14(21-12(3)22-15)13-5-7-17-8-6-13/h9-11,13,17H,4-8H2,1-3H3,(H,20,21,22)
InChIKeyARFCOUJCLPNSIT-UHFFFAOYSA-N
XLogP2.04
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (CID 56707674) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is CCn1ncnc1C(C)Nc1cc(C2CCNCC2)nc(C)n1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is ARFCOUJCLPNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-4-23-16(18-10-19-23)11(2)20-15-9-14(21-12(3)22-15)13-5-7-17-8-6-13/h9-11,13,17H,4-8H2,1-3H3,(H,20,21,22).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 315.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56707674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).