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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Related Compounds

CID 95060230
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CID 95060234
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CID 95060277
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CID 95060288
CID 95060288
CID 95060420
CID 95060420
CID 95060493
CID 95060493
CID 95060519
CID 95060519
CID 3213467
CID 3213467
CID 178251063
CID 178251063
CID 45249248
CID 45249248
CID 53046444
CID 53046444
CID 53046446
CID 53046446

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).