(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine

C11H12ClN3OS — CID 59829505

IUPAC(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2sccc12
InChIInChI=1S/C11H12ClN3OS/c1-7-6-16-4-3-15(7)9-8-2-5-17-10(8)14-11(12)13-9/h2,5,7H,3-4,6H2,1H3/t7-/m0/s1
InChIKeyUISVSUGDUITIBH-ZETCQYMHSA-N
MW269.76 g/mol
LogP2.57
Rot. Bonds1

About (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine

(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine (PubChem CID 59829505) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
PubChem CID59829505
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
SMILESC[C@H]1COCCN1c1nc(Cl)nc2sccc12
InChIInChI=1S/C11H12ClN3OS/c1-7-6-16-4-3-15(7)9-8-2-5-17-10(8)14-11(12)13-9/h2,5,7H,3-4,6H2,1H3/t7-/m0/s1
InChIKeyUISVSUGDUITIBH-ZETCQYMHSA-N
XLogP2.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine?
The IUPAC name of (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine (CID 59829505) is (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine.
What is the SMILES notation for (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine?
The canonical SMILES for (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine is C[C@H]1COCCN1c1nc(Cl)nc2sccc12.
What is the InChIKey of (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine?
The InChIKey is UISVSUGDUITIBH-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-7-6-16-4-3-15(7)9-8-2-5-17-10(8)14-11(12)13-9/h2,5,7H,3-4,6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine?
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine has a molecular weight of 269.76 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 59829505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).