4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine

C15H14ClF2N3OS — CID 143741533

IUPAC4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine
SMILESFc1cc(F)cc(SCc2cc(N3CCOCC3)nc(Cl)n2)c1
InChIInChI=1S/C15H14ClF2N3OS/c16-15-19-12(8-14(20-15)21-1-3-22-4-2-21)9-23-13-6-10(17)5-11(18)7-13/h5-8H,1-4,9H2
InChIKeyZSDAGVAYWZZZKT-UHFFFAOYSA-N
MW357.81 g/mol
LogP3.54
Rot. Bonds4

About 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine

4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine (PubChem CID 143741533) has the molecular formula C15H14ClF2N3OS and a molecular weight of 357.81 g/mol. Its IUPAC name is 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine
PubChem CID143741533
Molecular FormulaC15H14ClF2N3OS
Molecular Weight357.81 g/mol
Exact Mass357.05
IUPAC Name4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine
SMILESFc1cc(F)cc(SCc2cc(N3CCOCC3)nc(Cl)n2)c1
InChIInChI=1S/C15H14ClF2N3OS/c16-15-19-12(8-14(20-15)21-1-3-22-4-2-21)9-23-13-6-10(17)5-11(18)7-13/h5-8H,1-4,9H2
InChIKeyZSDAGVAYWZZZKT-UHFFFAOYSA-N
XLogP3.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-chloro-6-[(5-fluoropyridin-1-ium-2-yl)sulfanylmethyl]pyrimidin-4-yl]morpholine
CID 143741506
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725
4-[2-[(3,4-dichlorophenyl)methylsulfanyl]-6-(phenylsulfanylmethyl)pyrimidin-4-yl]morpholine
CID 1475513
4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine
CID 143742020
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopentyl]methanesulfinate
CID 175267852
4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine
CID 143741738
(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol
CID 58336174
2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
CID 126971307
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-(4-fluorophenyl)sulfanium
CID 143741808
(3S)-4-[2-chloro-6-(pyridin-2-ylsulfanylmethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 59380226
N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine
CID 87545294
2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide
CID 143741668

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine (CID 143741533) is 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine is Fc1cc(F)cc(SCc2cc(N3CCOCC3)nc(Cl)n2)c1.
What is the InChIKey of 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine?
The InChIKey is ZSDAGVAYWZZZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3OS/c16-15-19-12(8-14(20-15)21-1-3-22-4-2-21)9-23-13-6-10(17)5-11(18)7-13/h5-8H,1-4,9H2.
What are the key properties of 4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine has a molecular weight of 357.81 g/mol, XLogP of 3.54, 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-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143741533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).