5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C17H17N5O3 — CID 135591361

IUPAC5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3ccc(C)o3)n3nnnc3N2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-10-4-6-14(25-10)13-9-12(18-17-19-20-21-22(13)17)11-5-7-15(23-2)16(8-11)24-3/h4-9,13H,1-3H3,(H,18,19,21)
InChIKeyUXMKEPJJLOMKON-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.65
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine

5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 135591361) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID135591361
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2=CC(c3ccc(C)o3)n3nnnc3N2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-10-4-6-14(25-10)13-9-12(18-17-19-20-21-22(13)17)11-5-7-15(23-2)16(8-11)24-3/h4-9,13H,1-3H3,(H,18,19,21)
InChIKeyUXMKEPJJLOMKON-UHFFFAOYSA-N
XLogP2.65
TPSA87.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
Methyl 6-benzoyl-5-(3,4-dimethoxyphenyl)-4,5-dihydrotetrazolo[1,5-a]pyrimidine-7-carboxylate
CID 3242333
Methyl 7-(3,4-dimethoxyphenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 3238520
Methyl 6-benzoyl-7-(4-hydroxy-3-methoxyphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-5-carboxylate
CID 3240244
Methyl 7-(3-ethoxy-4-hydroxyphenyl)-6-(4-methylbenzoyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 3245277
Methyl 6-benzoyl-7-(3-ethoxy-4-hydroxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 3237680
7-(Furan-2-YL)-5-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine
CID 3294570
7-(Furan-2-yl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3250887
7-(Furan-2-yl)-5-(3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3650048
7-(3,4-Dimethoxyphenyl)-5-(2-furyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3723532
Sdccgsbi-0660445.P001
CID 4098911
7-(Furan-2-yl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4150914

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 135591361) is 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(C2=CC(c3ccc(C)o3)n3nnnc3N2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is UXMKEPJJLOMKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-4-6-14(25-10)13-9-12(18-17-19-20-21-22(13)17)11-5-7-15(23-2)16(8-11)24-3/h4-9,13H,1-3H3,(H,18,19,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 339.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-7-(5-methylfuran-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135591361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).