4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine

C14H18ClN3OS — CID 103322706

IUPAC4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2nc(Cl)nc3sccc23)CC(C)(C)O1
InChIInChI=1S/C14H18ClN3OS/c1-13(2)7-18(8-14(3,4)19-13)10-9-5-6-20-11(9)17-12(15)16-10/h5-6H,7-8H2,1-4H3
InChIKeyBOJDNLUDKJRPRD-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.74
Rot. Bonds1

About 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine

4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine (PubChem CID 103322706) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
PubChem CID103322706
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(c2nc(Cl)nc3sccc23)CC(C)(C)O1
InChIInChI=1S/C14H18ClN3OS/c1-13(2)7-18(8-14(3,4)19-13)10-9-5-6-20-11(9)17-12(15)16-10/h5-6H,7-8H2,1-4H3
InChIKeyBOJDNLUDKJRPRD-UHFFFAOYSA-N
XLogP3.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321009
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 103321558
2-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thieno[2,3-d]pyrimidine
CID 103322041
4-[1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 103321627
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103322108
2-[4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107224080
2-chloro-N-(3-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322515
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 103321099
2-chloro-4-(2-cyclopentylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321337
2-chloro-N-(2,2-dimethylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321352

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine (CID 103322706) is 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine is CC1(C)CN(c2nc(Cl)nc3sccc23)CC(C)(C)O1.
What is the InChIKey of 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
The InChIKey is BOJDNLUDKJRPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-13(2)7-18(8-14(3,4)19-13)10-9-5-6-20-11(9)17-12(15)16-10/h5-6H,7-8H2,1-4H3.
What are the key properties of 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine?
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine has a molecular weight of 311.84 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 103322706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).