4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine

C9H8ClN3S — CID 130547969

IUPAC4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCC2)c2ccsc2n1
InChIInChI=1S/C9H8ClN3S/c10-9-11-7(13-3-1-4-13)6-2-5-14-8(6)12-9/h2,5H,1,3-4H2
InChIKeyIBCYGJVREMSVJT-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.55
Rot. Bonds1

About 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine

4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine (PubChem CID 130547969) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
PubChem CID130547969
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
SMILESClc1nc(N2CCC2)c2ccsc2n1
InChIInChI=1S/C9H8ClN3S/c10-9-11-7(13-3-1-4-13)6-2-5-14-8(6)12-9/h2,5H,1,3-4H2
InChIKeyIBCYGJVREMSVJT-UHFFFAOYSA-N
XLogP2.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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)pyrrolidin-3-ol
CID 103321558
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 103322706
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-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
2-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thieno[2,3-d]pyrimidine
CID 103322041
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321337
4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 103321627
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
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
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103321099

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine (CID 130547969) is 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine is Clc1nc(N2CCC2)c2ccsc2n1.
What is the InChIKey of 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine?
The InChIKey is IBCYGJVREMSVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-9-11-7(13-3-1-4-13)6-2-5-14-8(6)12-9/h2,5H,1,3-4H2.
What are the key properties of 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine?
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine has a molecular weight of 225.70 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 130547969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).