4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine

C13H18ClN3OS — CID 143741738

IUPAC4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine
SMILESCCSC1(c2cc(N3CCOCC3)nc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3OS/c1-2-19-13(3-4-13)10-9-11(16-12(14)15-10)17-5-7-18-8-6-17/h9H,2-8H2,1H3
InChIKeyOSDCFTMUOJCKQO-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.71
Rot. Bonds4

About 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine

4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine (PubChem CID 143741738) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine
PubChem CID143741738
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine
SMILESCCSC1(c2cc(N3CCOCC3)nc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3OS/c1-2-19-13(3-4-13)10-9-11(16-12(14)15-10)17-5-7-18-8-6-17/h9H,2-8H2,1H3
InChIKeyOSDCFTMUOJCKQO-UHFFFAOYSA-N
XLogP2.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide
CID 143741668
4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine
CID 143742020
4-[2-chloro-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 174644321
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopentyl]methanesulfinate
CID 175267852
1-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]-1-prop-2-enylsulfonylethanol
CID 174618883
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-(4-fluorophenyl)sulfanium
CID 143741808
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725
[[1-[2-chloro-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]cyclopropyl]-methyl-oxo-λ6-sulfanylidene]carbamic acid
CID 154961474
4-[2-(3,4-dimethylphenyl)-6-(1-methylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine;ethane
CID 143741449
4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine
CID 163915630
4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine
CID 143741533
2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
CID 126971307

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine (CID 143741738) is 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine is CCSC1(c2cc(N3CCOCC3)nc(Cl)n2)CC1.
What is the InChIKey of 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine?
The InChIKey is OSDCFTMUOJCKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-2-19-13(3-4-13)10-9-11(16-12(14)15-10)17-5-7-18-8-6-17/h9H,2-8H2,1H3.
What are the key properties of 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine?
4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine has a molecular weight of 299.83 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143741738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).