2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid

C23H23N7O2 — CID 10365342

IUPAC2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid
SMILESCCCCc1ncc(C(=O)O)c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C23H23N7O2/c1-2-3-8-20-24-14-19(23(31)32)21(26-20)25-13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,31,32)(H,24,25,26)(H,27,28,29,30)
InChIKeyUZEIWFSLLLRAPZ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.98
Rot. Bonds9

About 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid

2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid (PubChem CID 10365342) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid
PubChem CID10365342
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid
SMILESCCCCc1ncc(C(=O)O)c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C23H23N7O2/c1-2-3-8-20-24-14-19(23(31)32)21(26-20)25-13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,31,32)(H,24,25,26)(H,27,28,29,30)
InChIKeyUZEIWFSLLLRAPZ-UHFFFAOYSA-N
XLogP3.98
TPSA129.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid (CID 10365342) is 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid is CCCCc1ncc(C(=O)O)c(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)n1.
What is the InChIKey of 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid?
The InChIKey is UZEIWFSLLLRAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-2-3-8-20-24-14-19(23(31)32)21(26-20)25-13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-27-29-30-28-22/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,31,32)(H,24,25,26)(H,27,28,29,30).
What are the key properties of 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid?
2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 429.48 g/mol, XLogP of 3.98, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 10365342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).