1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

C10H10ClN3OS — CID 103321558

IUPAC1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2nc(Cl)nc3sccc23)C1
InChIInChI=1S/C10H10ClN3OS/c11-10-12-8(14-3-1-6(15)5-14)7-2-4-16-9(7)13-10/h2,4,6,15H,1,3,5H2
InChIKeyKCSLDFRSTBNSBS-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.92
Rot. Bonds1

About 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol

1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 103321558) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID103321558
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2nc(Cl)nc3sccc23)C1
InChIInChI=1S/C10H10ClN3OS/c11-10-12-8(14-3-1-6(15)5-14)7-2-4-16-9(7)13-10/h2,4,6,15H,1,3,5H2
InChIKeyKCSLDFRSTBNSBS-UHFFFAOYSA-N
XLogP1.92
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thieno[2,3-d]pyrimidine
CID 103322041
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 103321627
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103322108
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103321099
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 103322706
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321337
2-[4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107224080
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321009
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol (CID 103321558) is 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is OC1CCN(c2nc(Cl)nc3sccc23)C1.
What is the InChIKey of 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is KCSLDFRSTBNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-10-12-8(14-3-1-6(15)5-14)7-2-4-16-9(7)13-10/h2,4,6,15H,1,3,5H2.
What are the key properties of 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol?
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 255.73 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103321558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).