(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine

C14H18ClN3OS — CID 93213873

IUPAC(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCCc1cc2c(N3C[C@@H](C)O[C@@H](C)C3)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3OS/c1-4-10-5-11-12(16-14(15)17-13(11)20-10)18-6-8(2)19-9(3)7-18/h5,8-9H,4,6-7H2,1-3H3/t8-,9+
InChIKeyXKTQSYQGYHBRMO-DTORHVGOSA-N
MW311.84 g/mol
LogP3.52
Rot. Bonds2

About (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 93213873) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
PubChem CID93213873
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCCc1cc2c(N3C[C@@H](C)O[C@@H](C)C3)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3OS/c1-4-10-5-11-12(16-14(15)17-13(11)20-10)18-6-8(2)19-9(3)7-18/h5,8-9H,4,6-7H2,1-3H3/t8-,9+
InChIKeyXKTQSYQGYHBRMO-DTORHVGOSA-N
XLogP3.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine (CID 93213873) is (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine is CCc1cc2c(N3C[C@@H](C)O[C@@H](C)C3)nc(Cl)nc2s1.
What is the InChIKey of (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is XKTQSYQGYHBRMO-DTORHVGOSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-4-10-5-11-12(16-14(15)17-13(11)20-10)18-6-8(2)19-9(3)7-18/h5,8-9H,4,6-7H2,1-3H3/t8-,9+.
What are the key properties of (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 311.84 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 93213873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).