4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine

C18H17N7O — CID 53477344

About 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine

4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 53477344) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 53477344
• Molecular Formula: C18H17N7O
• Molecular Weight: 347.38 g/mol
• Exact Mass: 347.15
• IUPAC Name: 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine
• SMILES: Cc1[nH]nc(Nc2ccnc(Nc3cccc(-c4ncco4)c3)n2)c1C
• InChI: InChI=1S/C18H17N7O/c1-11-12(2)24-25-16(11)22-15-6-7-20-18(23-15)21-14-5-3-4-13(10-14)17-19-8-9-26-17/h3-10H,1-2H3,(H3,20,21,22,23,24,25)
• InChIKey: YMSRKOCACGOGOZ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 104.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.38
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine (CID 53477344) is 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine is Cc1[nH]nc(Nc2ccnc(Nc3cccc(-c4ncco4)c3)n2)c1C.

What is the InChIKey of 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine?

The InChIKey is YMSRKOCACGOGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-11-12(2)24-25-16(11)22-15-6-7-20-18(23-15)21-14-5-3-4-13(10-14)17-19-8-9-26-17/h3-10H,1-2H3,(H3,20,21,22,23,24,25).

What are the key properties of 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine?

4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 347.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-N-[3-(1,3-oxazol-2-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 53477344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).