(5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

C18H19N5O — CID 136664146

About (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine

(5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (PubChem CID 136664146) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
• PubChem CID: 136664146
• Molecular Formula: C18H19N5O
• Molecular Weight: 321.38 g/mol
• Exact Mass: 321.16
• IUPAC Name: (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
• SMILES: COc1cccc([C@H]2C[C@H](c3ccccc3C)n3nnnc3N2)c1
• InChI: InChI=1S/C18H19N5O/c1-12-6-3-4-9-15(12)17-11-16(19-18-20-21-22-23(17)18)13-7-5-8-14(10-13)24-2/h3-10,16-17H,11H2,1-2H3,(H,19,20,22)/t16-,17-/m1/s1
• InChIKey: UIIISVMBDRMIRT-IAGOWNOFSA-N
• XLogP: 3.14
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.38
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?

The IUPAC name of (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine (CID 136664146) is (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine.

What is the SMILES notation for (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?

The canonical SMILES for (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is COc1cccc([C@H]2C[C@H](c3ccccc3C)n3nnnc3N2)c1.

What is the InChIKey of (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?

The InChIKey is UIIISVMBDRMIRT-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-6-3-4-9-15(12)17-11-16(19-18-20-21-22-23(17)18)13-7-5-8-14(10-13)24-2/h3-10,16-17H,11H2,1-2H3,(H,19,20,22)/t16-,17-/m1/s1.

What are the key properties of (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine?

(5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 321.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,7R)-5-(3-methoxyphenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136664146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).