2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide

C23H26N6O2 — CID 139350454

About 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide

2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide (PubChem CID 139350454) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide
• PubChem CID: 139350454
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cccc([C@@]3(Cc4nncn4C)CCOC3)c2)nc(C2CC2)n1
• InChI: InChI=1S/C23H26N6O2/c1-15-10-19(27-21(25-15)16-6-7-16)22(30)26-18-5-3-4-17(11-18)23(8-9-31-13-23)12-20-28-24-14-29(20)2/h3-5,10-11,14,16H,6-9,12-13H2,1-2H3,(H,26,30)/t23-/m1/s1
• InChIKey: CMRYZSYVBJQHPB-HSZRJFAPSA-N
• XLogP: 2.94
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide?

The IUPAC name of 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide (CID 139350454) is 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide?

The canonical SMILES for 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc([C@@]3(Cc4nncn4C)CCOC3)c2)nc(C2CC2)n1.

What is the InChIKey of 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide?

The InChIKey is CMRYZSYVBJQHPB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-10-19(27-21(25-15)16-6-7-16)22(30)26-18-5-3-4-17(11-18)23(8-9-31-13-23)12-20-28-24-14-29(20)2/h3-5,10-11,14,16H,6-9,12-13H2,1-2H3,(H,26,30)/t23-/m1/s1.

What are the key properties of 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide?

2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-methyl-N-[3-[(3R)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 139350454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).