5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine

C21H16N6O3 — CID 58016963

IUPAC5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCc4nn[nH]n4)c23)cc1
InChIInChI=1S/C21H16N6O3/c1-28-15-9-7-13(8-10-15)17-18-20(29-11-16-24-26-27-25-16)22-12-23-21(18)30-19(17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25,26,27)
InChIKeyUXBAMQUTWAZHPU-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.66
Rot. Bonds6

About 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine

5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine (PubChem CID 58016963) has the molecular formula C21H16N6O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine
PubChem CID58016963
Molecular FormulaC21H16N6O3
Molecular Weight400.40 g/mol
Exact Mass400.13
IUPAC Name5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCc4nn[nH]n4)c23)cc1
InChIInChI=1S/C21H16N6O3/c1-28-15-9-7-13(8-10-15)17-18-20(29-11-16-24-26-27-25-16)22-12-23-21(18)30-19(17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25,26,27)
InChIKeyUXBAMQUTWAZHPU-UHFFFAOYSA-N
XLogP3.66
TPSA111.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine
CID 58016975
6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
CID 58016957
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypentan-2-ol
CID 58016930
2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid
CID 69078820
3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine
CID 143503801
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
CID 58280263
3-[1-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyethoxy]propanenitrile
CID 140544972
5-(4-methoxyphenyl)-6-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)furo[2,3-d]pyrimidin-4-amine
CID 58016871
3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclohexan-1-ol
CID 58280188
sodium 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyheptanoate
CID 69076861

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine (CID 58016963) is 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(OCc4nn[nH]n4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine?
The InChIKey is UXBAMQUTWAZHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O3/c1-28-15-9-7-13(8-10-15)17-18-20(29-11-16-24-26-27-25-16)22-12-23-21(18)30-19(17)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,24,25,26,27).
What are the key properties of 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine?
5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine has a molecular weight of 400.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine is sourced from PubChem (CID 58016963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).