5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine

C14H10N4S — CID 158964751

IUPAC5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1C(c1cc3ccccc3s1)=NC2
InChIInChI=1S/C14H10N4S/c15-14-12-9(17-7-18-14)6-16-13(12)11-5-8-3-1-2-4-10(8)19-11/h1-5,7H,6H2,(H2,15,17,18)
InChIKeyKVCKZGKBYWETDF-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.62
Rot. Bonds1

About 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine

5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 158964751) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID158964751
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1C(c1cc3ccccc3s1)=NC2
InChIInChI=1S/C14H10N4S/c15-14-12-9(17-7-18-14)6-16-13(12)11-5-8-3-1-2-4-10(8)19-11/h1-5,7H,6H2,(H2,15,17,18)
InChIKeyKVCKZGKBYWETDF-UHFFFAOYSA-N
XLogP2.62
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzothiophen-2-yl)benzene-1,3-diamine
CID 102202625
5-(6-phenoxy-3-pyridinyl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 122695209
5-(1-benzothiophen-2-yl)-6-chloropyrimidine-2,4-diamine
CID 91186613
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525497
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
CID 15515264
2-[13-(1-benzothiophen-2-yl)pentacen-6-yl]-1-benzothiophene
CID 86041165
5,20-bis(1-benzothiophen-2-yl)-3,7,18,22-tetrazaundecacyclo[22.6.6.69,16.02,23.04,21.06,19.08,17.010,15.025,30.031,36.037,42]dotetraconta-2,4,6(19),7,10,12,14,17,20,22,25,27,29,31,33,35,37,39,41-nonadecaene
CID 135033998
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
1-benzothiophen-2-amine;hydrochloride
CID 66906726
5-(1-benzothiophen-2-yl)-3-(chloromethyl)-1,2-oxazole
CID 114911405

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 158964751) is 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1C(c1cc3ccccc3s1)=NC2.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KVCKZGKBYWETDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c15-14-12-9(17-7-18-14)6-16-13(12)11-5-8-3-1-2-4-10(8)19-11/h1-5,7H,6H2,(H2,15,17,18).
What are the key properties of 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine?
5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 266.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158964751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).