1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide

C17H19N7O5 — CID 162426008

About 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide

1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 162426008) has the molecular formula C17H19N7O5 and a molecular weight of 401.38 g/mol. Its IUPAC name is 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 162426008
• Molecular Formula: C17H19N7O5
• Molecular Weight: 401.38 g/mol
• Exact Mass: 401.14
• IUPAC Name: 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: COc1ccc([C@@H](O)Cn2nnc(Cn3cc(C(N)=O)c(=O)n(C)c3=O)n2)cc1
• InChI: InChI=1S/C17H19N7O5/c1-22-16(27)12(15(18)26)7-23(17(22)28)9-14-19-21-24(20-14)8-13(25)10-3-5-11(29-2)6-4-10/h3-7,13,25H,8-9H2,1-2H3,(H2,18,26)/t13-/m0/s1
• InChIKey: NJJNSEXJVWRCTD-ZDUSSCGKSA-N
• XLogP: -1.58
• TPSA: 160.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.38
LogP ≤ 5	-1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 162426008) is 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide is COc1ccc([C@@H](O)Cn2nnc(Cn3cc(C(N)=O)c(=O)n(C)c3=O)n2)cc1.

What is the InChIKey of 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is NJJNSEXJVWRCTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N7O5/c1-22-16(27)12(15(18)26)7-23(17(22)28)9-14-19-21-24(20-14)8-13(25)10-3-5-11(29-2)6-4-10/h3-7,13,25H,8-9H2,1-2H3,(H2,18,26)/t13-/m0/s1.

What are the key properties of 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide?

1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 401.38 g/mol, XLogP of -1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]tetrazol-5-yl]methyl]-3-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 162426008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).