4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine

C11H14ClN3S — CID 80948108

IUPAC4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
SMILESClc1cc(N2CCSCC2)nc(C2CC2)n1
InChIInChI=1S/C11H14ClN3S/c12-9-7-10(15-3-5-16-6-4-15)14-11(13-9)8-1-2-8/h7-8H,1-6H2
InChIKeyAIKLJGFFGMBQNY-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.56
Rot. Bonds2

About 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine

4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine (PubChem CID 80948108) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
PubChem CID80948108
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
SMILESClc1cc(N2CCSCC2)nc(C2CC2)n1
InChIInChI=1S/C11H14ClN3S/c12-9-7-10(15-3-5-16-6-4-15)14-11(13-9)8-1-2-8/h7-8H,1-6H2
InChIKeyAIKLJGFFGMBQNY-UHFFFAOYSA-N
XLogP2.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine (CID 80948108) is 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine is Clc1cc(N2CCSCC2)nc(C2CC2)n1.
What is the InChIKey of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine?
The InChIKey is AIKLJGFFGMBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c12-9-7-10(15-3-5-16-6-4-15)14-11(13-9)8-1-2-8/h7-8H,1-6H2.
What are the key properties of 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine?
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine has a molecular weight of 255.77 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 80948108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).