4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine

C11H14ClN3OS — CID 141417753

IUPAC4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine
SMILESClc1nc2c(c(N3CCOCC3)n1)CSCC2
InChIInChI=1S/C11H14ClN3OS/c12-11-13-9-1-6-17-7-8(9)10(14-11)15-2-4-16-5-3-15/h1-7H2
InChIKeyFWVCHIPWYPDHGK-UHFFFAOYSA-N
MW271.77 g/mol
LogP1.76
Rot. Bonds1

About 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine

4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine (PubChem CID 141417753) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine
PubChem CID141417753
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC Name4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine
SMILESClc1nc2c(c(N3CCOCC3)n1)CSCC2
InChIInChI=1S/C11H14ClN3OS/c12-11-13-9-1-6-17-7-8(9)10(14-11)15-2-4-16-5-3-15/h1-7H2
InChIKeyFWVCHIPWYPDHGK-UHFFFAOYSA-N
XLogP1.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine (CID 141417753) is 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine is Clc1nc2c(c(N3CCOCC3)n1)CSCC2.
What is the InChIKey of 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine?
The InChIKey is FWVCHIPWYPDHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c12-11-13-9-1-6-17-7-8(9)10(14-11)15-2-4-16-5-3-15/h1-7H2.
What are the key properties of 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine?
4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine has a molecular weight of 271.77 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 141417753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).