4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine

C20H17N5S — CID 108779753

About 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine

4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine (PubChem CID 108779753) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine
• PubChem CID: 108779753
• Molecular Formula: C20H17N5S
• Molecular Weight: 359.46 g/mol
• Exact Mass: 359.12
• IUPAC Name: 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine
• SMILES: Cc1cc(C)nc(Nc2cccc(-c3csc(-c4ccccn4)n3)c2)n1
• InChI: InChI=1S/C20H17N5S/c1-13-10-14(2)23-20(22-13)24-16-7-5-6-15(11-16)18-12-26-19(25-18)17-8-3-4-9-21-17/h3-12H,1-2H3,(H,22,23,24)
• InChIKey: DHUMBAPUQKTJTI-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.46
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine?

The IUPAC name of 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine (CID 108779753) is 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine.

What is the SMILES notation for 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine?

The canonical SMILES for 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2cccc(-c3csc(-c4ccccn4)n3)c2)n1.

What is the InChIKey of 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine?

The InChIKey is DHUMBAPUQKTJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c1-13-10-14(2)23-20(22-13)24-16-7-5-6-15(11-16)18-12-26-19(25-18)17-8-3-4-9-21-17/h3-12H,1-2H3,(H,22,23,24).

What are the key properties of 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine?

4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine has a molecular weight of 359.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 108779753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).