3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide

C19H22N6OS — CID 47060882

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide (PubChem CID 47060882) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide
• PubChem CID: 47060882
• Molecular Formula: C19H22N6OS
• Molecular Weight: 382.49 g/mol
• Exact Mass: 382.16
• IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide
• SMILES: CSc1nc(C)c(CCC(=O)NCc2ccnc(-n3ccnc3)c2)c(C)n1
• InChI: InChI=1S/C19H22N6OS/c1-13-16(14(2)24-19(23-13)27-3)4-5-18(26)22-11-15-6-7-21-17(10-15)25-9-8-20-12-25/h6-10,12H,4-5,11H2,1-3H3,(H,22,26)
• InChIKey: PWVRDKIOZSPEGB-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.49
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide?

The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide (CID 47060882) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide.

What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide?

The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide is CSc1nc(C)c(CCC(=O)NCc2ccnc(-n3ccnc3)c2)c(C)n1.

What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide?

The InChIKey is PWVRDKIOZSPEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-13-16(14(2)24-19(23-13)27-3)4-5-18(26)22-11-15-6-7-21-17(10-15)25-9-8-20-12-25/h6-10,12H,4-5,11H2,1-3H3,(H,22,26).

What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide?

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 382.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 47060882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).