4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol

C16H15N7O2S — CID 71848212

IUPAC4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCc1oc2nc(CSc3nnnn3-c3ccc(O)cc3)nc(N)c2c1C
InChIInChI=1S/C16H15N7O2S/c1-8-9(2)25-15-13(8)14(17)18-12(19-15)7-26-16-20-21-22-23(16)10-3-5-11(24)6-4-10/h3-6,24H,7H2,1-2H3,(H2,17,18,19)
InChIKeyUNROBKOSJVRQAY-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.40
Rot. Bonds4

About 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 71848212) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID71848212
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCc1oc2nc(CSc3nnnn3-c3ccc(O)cc3)nc(N)c2c1C
InChIInChI=1S/C16H15N7O2S/c1-8-9(2)25-15-13(8)14(17)18-12(19-15)7-26-16-20-21-22-23(16)10-3-5-11(24)6-4-10/h3-6,24H,7H2,1-2H3,(H2,17,18,19)
InChIKeyUNROBKOSJVRQAY-UHFFFAOYSA-N
XLogP2.40
TPSA128.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 51891923
4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62187551
4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 24666683
ethyl 4-amino-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 27096718
4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
CID 106933316
4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
CID 60652367
4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
4-[5-(4-aminobut-2-enylsulfanyl)tetrazol-1-yl]phenol
CID 77110422
5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 60563929
3-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-2-methylpropanehydrazide
CID 63582154
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol (CID 71848212) is 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol is Cc1oc2nc(CSc3nnnn3-c3ccc(O)cc3)nc(N)c2c1C.
What is the InChIKey of 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is UNROBKOSJVRQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c1-8-9(2)25-15-13(8)14(17)18-12(19-15)7-26-16-20-21-22-23(16)10-3-5-11(24)6-4-10/h3-6,24H,7H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 369.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-amino-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 71848212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).