2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine

C15H11N5S — CID 127035004

IUPAC2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
InChIKeyXXEHHKXNADFXES-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.13
Rot. Bonds2

About 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine

2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127035004) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127035004
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESNc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18)
InChIKeyXXEHHKXNADFXES-UHFFFAOYSA-N
XLogP3.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Agl 2043
CID 9817165
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
7-(Thiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 900945
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
4-(Benzotriazol-1-yl)thieno[2,3-d]pyrimidine
CID 2469161
7-Amino-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70690634
2,3-Dimethyl-6-thiophen-2-ylimidazo[1,2-b][1,2,4]triazine
CID 615484
N-cyclohexyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808862
4-(1-Phenyl-3-thiophen-2-ylpyrazol-4-yl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2998031

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine (CID 127035004) is 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is XXEHHKXNADFXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c16-14-13-11(17-15(18-14)12-7-4-8-21-12)9-20(19-13)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18).
What are the key properties of 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine?
2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 293.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127035004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).