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

C14H17ClN4OS — CID 103321627

IUPAC4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
SMILESClc1nc(N2CCC(N3CCOCC3)C2)c2ccsc2n1
InChIInChI=1S/C14H17ClN4OS/c15-14-16-12(11-2-8-21-13(11)17-14)19-3-1-10(9-19)18-4-6-20-7-5-18/h2,8,10H,1,3-7,9H2
InChIKeyJPMIZRXHCUXQFM-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.26
Rot. Bonds2

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

4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine (PubChem CID 103321627) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
PubChem CID103321627
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
SMILESClc1nc(N2CCC(N3CCOCC3)C2)c2ccsc2n1
InChIInChI=1S/C14H17ClN4OS/c15-14-16-12(11-2-8-21-13(11)17-14)19-3-1-10(9-19)18-4-6-20-7-5-18/h2,8,10H,1,3-7,9H2
InChIKeyJPMIZRXHCUXQFM-UHFFFAOYSA-N
XLogP2.26
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
2-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thieno[2,3-d]pyrimidine
CID 103322041
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 103321558
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103321099
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171427
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 103322706
2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 72928054
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321337
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine (CID 103321627) is 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine is Clc1nc(N2CCC(N3CCOCC3)C2)c2ccsc2n1.
What is the InChIKey of 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is JPMIZRXHCUXQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c15-14-16-12(11-2-8-21-13(11)17-14)19-3-1-10(9-19)18-4-6-20-7-5-18/h2,8,10H,1,3-7,9H2.
What are the key properties of 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 324.84 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 103321627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).