(4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

C21H22FN3O5 — CID 27600955

About (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 27600955) has the molecular formula C21H22FN3O5 and a molecular weight of 415.42 g/mol. Its IUPAC name is (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
• PubChem CID: 27600955
• Molecular Formula: C21H22FN3O5
• Molecular Weight: 415.42 g/mol
• Exact Mass: 415.15
• IUPAC Name: (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
• SMILES: COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)cc(OC)c1OC
• InChI: InChI=1S/C21H22FN3O5/c1-11-17(20(26)24-14-8-6-5-7-13(14)22)18(25-21(27)23-11)12-9-15(28-2)19(30-4)16(10-12)29-3/h5-10,18H,1-4H3,(H,24,26)(H2,23,25,27)/t18-/m1/s1
• InChIKey: AOHQSRUPLSZKCU-GOSISDBHSA-N
• XLogP: 3.12
• TPSA: 97.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.42
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The IUPAC name of (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 27600955) is (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide.

What is the SMILES notation for (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The canonical SMILES for (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2F)cc(OC)c1OC.

What is the InChIKey of (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?

The InChIKey is AOHQSRUPLSZKCU-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22FN3O5/c1-11-17(20(26)24-14-8-6-5-7-13(14)22)18(25-21(27)23-11)12-9-15(28-2)19(30-4)16(10-12)29-3/h5-10,18H,1-4H3,(H,24,26)(H2,23,25,27)/t18-/m1/s1.

What are the key properties of (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide?

(4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-N-(2-fluorophenyl)-6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 27600955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).