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

C10H10ClN3OS — CID 13038189

IUPAC4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2ccsc2n1
InChIInChI=1S/C10H10ClN3OS/c11-10-12-8(14-2-4-15-5-3-14)7-1-6-16-9(7)13-10/h1,6H,2-5H2
InChIKeyYPVVQAPITTYKRL-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.18
Rot. Bonds1

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

4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine (PubChem CID 13038189) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine
PubChem CID13038189
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2ccsc2n1
InChIInChI=1S/C10H10ClN3OS/c11-10-12-8(14-2-4-15-5-3-14)7-1-6-16-9(7)13-10/h1,6H,2-5H2
InChIKeyYPVVQAPITTYKRL-UHFFFAOYSA-N
XLogP2.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine (CID 13038189) is 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine is Clc1nc(N2CCOCC2)c2ccsc2n1.
What is the InChIKey of 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is YPVVQAPITTYKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-10-12-8(14-2-4-15-5-3-14)7-1-6-16-9(7)13-10/h1,6H,2-5H2.
What are the key properties of 4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine?
4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 255.73 g/mol, XLogP of 2.18, 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)morpholine is sourced from PubChem (CID 13038189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).