2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone

C24H26N6O2 — CID 53046537

IUPAC2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(C2=CC(c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H26N6O2/c1-17-3-7-19(8-4-17)21-15-22(20-9-5-18(2)6-10-20)30-24(25-26-27-30)29(21)16-23(31)28-11-13-32-14-12-28/h3-10,15,22H,11-14,16H2,1-2H3
InChIKeyGPTGZANKXZJDEL-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.60
Rot. Bonds4

About 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone

2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 53046537) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID53046537
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(C2=CC(c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H26N6O2/c1-17-3-7-19(8-4-17)21-15-22(20-9-5-18(2)6-10-20)30-24(25-26-27-30)29(21)16-23(31)28-11-13-32-14-12-28/h3-10,15,22H,11-14,16H2,1-2H3
InChIKeyGPTGZANKXZJDEL-UHFFFAOYSA-N
XLogP2.60
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone (CID 53046537) is 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone is Cc1ccc(C2=CC(c3ccc(C)cc3)n3nnnc3N2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is GPTGZANKXZJDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17-3-7-19(8-4-17)21-15-22(20-9-5-18(2)6-10-20)30-24(25-26-27-30)29(21)16-23(31)28-11-13-32-14-12-28/h3-10,15,22H,11-14,16H2,1-2H3.
What are the key properties of 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone?
2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 430.51 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 53046537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).