2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C23H21ClN6O4 — CID 170944321

About 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944321) has the molecular formula C23H21ClN6O4 and a molecular weight of 480.91 g/mol. Its IUPAC name is 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944321
• Molecular Formula: C23H21ClN6O4
• Molecular Weight: 480.91 g/mol
• Exact Mass: 480.13
• IUPAC Name: 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: Cc1cnc([C@H](c2ccccc2Cl)[C@@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1
• InChI: InChI=1S/C23H21ClN6O4/c1-12-8-26-17(10-25-12)18(15-6-4-5-7-16(15)24)13(2)21-29-19(20(31)23(33)30(21)3)22(32)28-14-9-27-34-11-14/h4-11,13,18,31H,1-3H3,(H,28,32)/t13-,18+/m1/s1
• InChIKey: PNQRLFBUGVRWPW-ACJLOTCBSA-N
• XLogP: 3.41
• TPSA: 136.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.91
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944321) is 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1cnc([C@H](c2ccccc2Cl)[C@@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cn1.

What is the InChIKey of 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The InChIKey is PNQRLFBUGVRWPW-ACJLOTCBSA-N. The full InChI is InChI=1S/C23H21ClN6O4/c1-12-8-26-17(10-25-12)18(15-6-4-5-7-16(15)24)13(2)21-29-19(20(31)23(33)30(21)3)22(32)28-14-9-27-34-11-14/h4-11,13,18,31H,1-3H3,(H,28,32)/t13-,18+/m1/s1.

What are the key properties of 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 480.91 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,2R)-1-(2-chlorophenyl)-1-(5-methylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).