N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C19H24N6O — CID 119526851

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 119526851) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 119526851
• Molecular Formula: C19H24N6O
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.20
• IUPAC Name: N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1cc(C)n2nc(C(=O)NCC(N)c3ccc(C(C)C)cc3)nc2n1
• InChI: InChI=1S/C19H24N6O/c1-11(2)14-5-7-15(8-6-14)16(20)10-21-18(26)17-23-19-22-12(3)9-13(4)25(19)24-17/h5-9,11,16H,10,20H2,1-4H3,(H,21,26)
• InChIKey: LIWGOYMDAVUZSU-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 98.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 119526851) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)NCC(N)c3ccc(C(C)C)cc3)nc2n1.

What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is LIWGOYMDAVUZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-11(2)14-5-7-15(8-6-14)16(20)10-21-18(26)17-23-19-22-12(3)9-13(4)25(19)24-17/h5-9,11,16H,10,20H2,1-4H3,(H,21,26).

What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 119526851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).