7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

C10H6ClN3OS — CID 138608427

IUPAC7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1ccn2-c1ccc(Cl)s1
InChIInChI=1S/C10H6ClN3OS/c11-7-1-2-8(16-7)14-4-3-6-9(14)12-5-13-10(6)15/h1-5H,(H,12,13,15)
InChIKeyCHEWYASDXYQSRA-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.43
Rot. Bonds1

About 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one

7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 138608427) has the molecular formula C10H6ClN3OS and a molecular weight of 251.70 g/mol. Its IUPAC name is 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID138608427
Molecular FormulaC10H6ClN3OS
Molecular Weight251.70 g/mol
Exact Mass250.99
IUPAC Name7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1ccn2-c1ccc(Cl)s1
InChIInChI=1S/C10H6ClN3OS/c11-7-1-2-8(16-7)14-4-3-6-9(14)12-5-13-10(6)15/h1-5H,(H,12,13,15)
InChIKeyCHEWYASDXYQSRA-UHFFFAOYSA-N
XLogP2.43
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(1-methyl-6-oxo-2-pyridinyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 175735566
7-(3-bromophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137035302
7-(2,2,2-trifluoroethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138608380
4-(5-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136769687
6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 160936110
[4-[(4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl]phenoxy]boronic acid
CID 169006274
5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908662
4-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974800
7-(4-chlorophenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 136623259
7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136674918
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135412639

Frequently Asked Questions

What is the IUPAC name of 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 138608427) is 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1ccn2-c1ccc(Cl)s1.
What is the InChIKey of 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is CHEWYASDXYQSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3OS/c11-7-1-2-8(16-7)14-4-3-6-9(14)12-5-13-10(6)15/h1-5H,(H,12,13,15).
What are the key properties of 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 251.70 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chlorothiophen-2-yl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 138608427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).