(4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H20N4O3S — CID 6551896

About (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 6551896) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 6551896
• Molecular Formula: C19H20N4O3S
• Molecular Weight: 384.46 g/mol
• Exact Mass: 384.13
• IUPAC Name: (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)c1OC
• InChI: InChI=1S/C19H20N4O3S/c1-11-15(18(24)22-14-9-4-5-10-20-14)16(23-19(27)21-11)12-7-6-8-13(25-2)17(12)26-3/h4-10,16H,1-3H3,(H,20,22,24)(H2,21,23,27)/t16-/m1/s1
• InChIKey: RSYLXKYPFIUQAB-MRXNPFEDSA-N
• XLogP: 2.53
• TPSA: 84.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.46
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 6551896) is (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)c1OC.

What is the InChIKey of (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is RSYLXKYPFIUQAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-11-15(18(24)22-14-9-4-5-10-20-14)16(23-19(27)21-11)12-7-6-8-13(25-2)17(12)26-3/h4-10,16H,1-3H3,(H,20,22,24)(H2,21,23,27)/t16-/m1/s1.

What are the key properties of (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide?

(4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-N-pyridin-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 6551896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).