6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

C16H11N3S2 — CID 141052128

IUPAC6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(Sc4cccs4)ncnc3[nH]2)cc1
InChIInChI=1S/C16H11N3S2/c1-2-5-11(6-3-1)13-9-12-15(19-13)17-10-18-16(12)21-14-7-4-8-20-14/h1-10H,(H,17,18,19)
InChIKeyFPXIKFREZVYDEL-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.84
Rot. Bonds3

About 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine

6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141052128) has the molecular formula C16H11N3S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID141052128
Molecular FormulaC16H11N3S2
Molecular Weight309.42 g/mol
Exact Mass309.04
IUPAC Name6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ccc(-c2cc3c(Sc4cccs4)ncnc3[nH]2)cc1
InChIInChI=1S/C16H11N3S2/c1-2-5-11(6-3-1)13-9-12-15(19-13)17-10-18-16(12)21-14-7-4-8-20-14/h1-10H,(H,17,18,19)
InChIKeyFPXIKFREZVYDEL-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 59151344
4-fluoro-6-thiophen-2-ylsulfanylpyrimidine
CID 115417285
2-phenyl-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
CID 118805090
N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80888546
2-fluoro-4-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]aniline
CID 58931204
1-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 18008426
2-chloro-4-thiophen-2-ylsulfanylquinazoline
CID 55080729
[4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol
CID 171513203
1-chloro-4-thiophen-2-ylsulfanylphthalazine
CID 62140617
5-thiophen-2-ylsulfanyl-1H-1,2,4-triazole
CID 141130779
N-(cyclohexylmethyl)-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylcyclohexanamine
CID 70207356
6-methyl-4-thiophen-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334108

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine (CID 141052128) is 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is c1ccc(-c2cc3c(Sc4cccs4)ncnc3[nH]2)cc1.
What is the InChIKey of 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FPXIKFREZVYDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3S2/c1-2-5-11(6-3-1)13-9-12-15(19-13)17-10-18-16(12)21-14-7-4-8-20-14/h1-10H,(H,17,18,19).
What are the key properties of 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine?
6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 309.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141052128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).