N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine

C20H15N7S — CID 18383046

IUPACN-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1nnnn1-c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C20H15N7S/c1-13-24-25-26-27(13)16-9-7-15(8-10-16)23-20-19-17(21-12-22-20)11-18(28-19)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,23)
InChIKeyDFVTXPLSLZTIAZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine

N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 18383046) has the molecular formula C20H15N7S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID18383046
Molecular FormulaC20H15N7S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1nnnn1-c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C20H15N7S/c1-13-24-25-26-27(13)16-9-7-15(8-10-16)23-20-19-17(21-12-22-20)11-18(28-19)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,23)
InChIKeyDFVTXPLSLZTIAZ-UHFFFAOYSA-N
XLogP4.39
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 5328399
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CID 5328400
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CID 11499583
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CID 5328406
CID 5328406
CID 5328407
CID 5328407
CID 5328408
CID 5328408
CID 25190904
CID 25190904
CID 44316765
CID 44316765
CID 164616904
CID 164616904
CID 76310732
CID 76310732
CID 76317939
CID 76317939
CID 9884465
CID 9884465

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 18383046) is N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine is Cc1nnnn1-c1ccc(Nc2ncnc3cc(-c4ccccc4)sc23)cc1.
What is the InChIKey of N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DFVTXPLSLZTIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7S/c1-13-24-25-26-27(13)16-9-7-15(8-10-16)23-20-19-17(21-12-22-20)11-18(28-19)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,23).
What are the key properties of N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine?
N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 385.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyltetrazol-1-yl)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18383046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).