N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

C17H16ClN5O2 — CID 109370199

About N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109370199) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
• PubChem CID: 109370199
• Molecular Formula: C17H16ClN5O2
• Molecular Weight: 357.80 g/mol
• Exact Mass: 357.10
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
• SMILES: Cc1nc(Nc2cc(C)on2)cc(C(=O)NCc2ccc(Cl)cc2)n1
• InChI: InChI=1S/C17H16ClN5O2/c1-10-7-16(23-25-10)22-15-8-14(20-11(2)21-15)17(24)19-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,19,24)(H,20,21,22,23)
• InChIKey: LIYLACAZMUOLQM-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.80
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 109370199) is N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is Cc1nc(Nc2cc(C)on2)cc(C(=O)NCc2ccc(Cl)cc2)n1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?

The InChIKey is LIYLACAZMUOLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-10-7-16(23-25-10)22-15-8-14(20-11(2)21-15)17(24)19-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,19,24)(H,20,21,22,23).

What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?

N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109370199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).