4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine

C10H7N3S — CID 24963935

IUPAC4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(-c2ccsc2)c2cc[nH]c2n1
InChIInChI=1S/C10H7N3S/c1-3-11-10-8(1)9(12-6-13-10)7-2-4-14-5-7/h1-6H,(H,11,12,13)
InChIKeyDFJSEVITDKSNJN-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.69
Rot. Bonds1

About 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine

4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 24963935) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID24963935
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(-c2ccsc2)c2cc[nH]c2n1
InChIInChI=1S/C10H7N3S/c1-3-11-10-8(1)9(12-6-13-10)7-2-4-14-5-7/h1-6H,(H,11,12,13)
InChIKeyDFJSEVITDKSNJN-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 132580407
4-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 74221294
4-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 147607020
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 166509629
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352
7H-pyrrolo[2,3-d]pyrimidine-4-thiolate
CID 59609036
4-[4-[2-(sulfamoylamino)propan-2-yl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 166509596
4-[1-(3-ethylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 130252560
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-benzothiazole
CID 166336922
4-[3-methyl-5-(4-methylphenyl)triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744346
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 24963935) is 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine is c1nc(-c2ccsc2)c2cc[nH]c2n1.
What is the InChIKey of 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DFJSEVITDKSNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c1-3-11-10-8(1)9(12-6-13-10)7-2-4-14-5-7/h1-6H,(H,11,12,13).
What are the key properties of 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 201.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 24963935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).