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

6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 18382918
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
N-[1-(benzenesulfonyl)indol-5-yl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 11102921
1-N-(4-methoxyphenyl)-4-N-[6-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 18383085
4-chloro-6-phenylthieno[3,2-d]pyrimidine
CID 2757862
2-(3-methylphenyl)-N-phenylthieno[3,2-b]pyridin-7-amine
CID 156784571
6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 25165203
N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 25164407
3-chloro-4-phenyl-1-[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]azetidin-2-one
CID 11795657
[6-(3,5-dimethylphenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
CID 22036902
N-(3-ethynylphenyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 18383036
6-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 155537576

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).