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

C14H20ClN3OS — CID 121428485

IUPAC4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine
SMILESCCSC1(c2cc(Cl)nc(N3CCOCC3)n2)CCC1
InChIInChI=1S/C14H20ClN3OS/c1-2-20-14(4-3-5-14)11-10-12(15)17-13(16-11)18-6-8-19-9-7-18/h10H,2-9H2,1H3
InChIKeyISGMKGIAXAUWPF-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.10
Rot. Bonds4

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

4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine (PubChem CID 121428485) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine
PubChem CID121428485
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine
SMILESCCSC1(c2cc(Cl)nc(N3CCOCC3)n2)CCC1
InChIInChI=1S/C14H20ClN3OS/c1-2-20-14(4-3-5-14)11-10-12(15)17-13(16-11)18-6-8-19-9-7-18/h10H,2-9H2,1H3
InChIKeyISGMKGIAXAUWPF-UHFFFAOYSA-N
XLogP3.10
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine (CID 121428485) is 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine is CCSC1(c2cc(Cl)nc(N3CCOCC3)n2)CCC1.
What is the InChIKey of 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine?
The InChIKey is ISGMKGIAXAUWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c1-2-20-14(4-3-5-14)11-10-12(15)17-13(16-11)18-6-8-19-9-7-18/h10H,2-9H2,1H3.
What are the key properties of 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine?
4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine has a molecular weight of 313.85 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(1-ethylsulfanylcyclobutyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 121428485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).