7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C19H15BrCl2N6O2 — CID 135827255

About 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135827255) has the molecular formula C19H15BrCl2N6O2 and a molecular weight of 510.18 g/mol. Its IUPAC name is 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135827255
• Molecular Formula: C19H15BrCl2N6O2
• Molecular Weight: 510.18 g/mol
• Exact Mass: 507.98
• IUPAC Name: 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(N)=O)C(c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n2nnnc2N1
• InChI: InChI=1S/C19H15BrCl2N6O2/c1-9-16(18(23)29)17(28-19(24-9)25-26-27-28)13-6-11(20)3-5-15(13)30-8-10-2-4-12(21)7-14(10)22/h2-7,17H,8H2,1H3,(H2,23,29)(H,24,25,27)
• InChIKey: XETKROGGSAMROJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 107.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.18
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135827255) is 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)n2nnnc2N1.

What is the InChIKey of 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is XETKROGGSAMROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrCl2N6O2/c1-9-16(18(23)29)17(28-19(24-9)25-26-27-28)13-6-11(20)3-5-15(13)30-8-10-2-4-12(21)7-14(10)22/h2-7,17H,8H2,1H3,(H2,23,29)(H,24,25,27).

What are the key properties of 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?

7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 510.18 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135827255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).