6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine

C26H18N4S — CID 18382918

IUPAC6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3ncnc(Nc4c(-c5ccccc5)[nH]c5ccccc45)c3s2)cc1
InChIInChI=1S/C26H18N4S/c1-3-9-17(10-4-1)22-15-21-25(31-22)26(28-16-27-21)30-24-19-13-7-8-14-20(19)29-23(24)18-11-5-2-6-12-18/h1-16,29H,(H,27,28,30)
InChIKeyCUWDQHXOARQOMI-UHFFFAOYSA-N
MW418.53 g/mol
LogP7.25
Rot. Bonds4

About 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine

6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382918) has the molecular formula C26H18N4S and a molecular weight of 418.53 g/mol. Its IUPAC name is 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID18382918
Molecular FormulaC26H18N4S
Molecular Weight418.53 g/mol
Exact Mass418.13
IUPAC Name6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3ncnc(Nc4c(-c5ccccc5)[nH]c5ccccc45)c3s2)cc1
InChIInChI=1S/C26H18N4S/c1-3-9-17(10-4-1)22-15-21-25(31-22)26(28-16-27-21)30-24-19-13-7-8-14-20(19)29-23(24)18-11-5-2-6-12-18/h1-16,29H,(H,27,28,30)
InChIKeyCUWDQHXOARQOMI-UHFFFAOYSA-N
XLogP7.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5H-pyrimido[5,4-b]indol-4-amine
CID 814517
N-[(1R)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 5328387
N-[(1S)-1-phenylethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 5328388
Benzothieno[3,2-d]pyrimidine deriv. 51
CID 5328399
Benzothieno[3,2-d]pyrimidine deriv. 52
CID 5328400
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine
CID 11499583
1-1H-indol-7-yl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138117
(1H-Indol-5-yl)-(6-thiophen-2-yl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382853
Benzothieno[3,2-d]pyrimidine deriv. 58
CID 5328406
Benzothieno[3,2-d]pyrimidine deriv. 59
CID 5328407

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 18382918) is 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine is c1ccc(-c2cc3ncnc(Nc4c(-c5ccccc5)[nH]c5ccccc45)c3s2)cc1.
What is the InChIKey of 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is CUWDQHXOARQOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4S/c1-3-9-17(10-4-1)22-15-21-25(31-22)26(28-16-27-21)30-24-19-13-7-8-14-20(19)29-23(24)18-11-5-2-6-12-18/h1-16,29H,(H,27,28,30).
What are the key properties of 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 418.53 g/mol, XLogP of 7.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(2-phenyl-1H-indol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).