4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine

C17H16ClF2N3OS — CID 143742020

IUPAC4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine
SMILESFc1ccc(SC2(c3cc(N4CCOCC4)nc(Cl)n3)CC2)cc1F
InChIInChI=1S/C17H16ClF2N3OS/c18-16-21-14(10-15(22-16)23-5-7-24-8-6-23)17(3-4-17)25-11-1-2-12(19)13(20)9-11/h1-2,9-10H,3-8H2
InChIKeyOABJXGFQBDGOFT-UHFFFAOYSA-N
MW383.85 g/mol
LogP4.03
Rot. Bonds4

About 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine

4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine (PubChem CID 143742020) has the molecular formula C17H16ClF2N3OS and a molecular weight of 383.85 g/mol. Its IUPAC name is 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine
PubChem CID143742020
Molecular FormulaC17H16ClF2N3OS
Molecular Weight383.85 g/mol
Exact Mass383.07
IUPAC Name4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine
SMILESFc1ccc(SC2(c3cc(N4CCOCC4)nc(Cl)n3)CC2)cc1F
InChIInChI=1S/C17H16ClF2N3OS/c18-16-21-14(10-15(22-16)23-5-7-24-8-6-23)17(3-4-17)25-11-1-2-12(19)13(20)9-11/h1-2,9-10H,3-8H2
InChIKeyOABJXGFQBDGOFT-UHFFFAOYSA-N
XLogP4.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1-(3-chloro-4-fluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143741649
4-[2-chloro-6-(1-ethylsulfanylcyclopropyl)pyrimidin-4-yl]morpholine
CID 143741738
2-[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopropyl]sulfanylacetamide
CID 143741668
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-(4-fluorophenyl)sulfanium
CID 143741808
[1-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)cyclopentyl]methanesulfinate
CID 175267852
4-[4-[1-(2,4-difluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]aniline
CID 143741509
4-[2-chloro-6-(4-methylsulfonylpiperidin-4-yl)pyrimidin-4-yl]morpholine
CID 174644321
4-[2-chloro-6-[(3,5-difluorophenyl)sulfanylmethyl]pyrimidin-4-yl]morpholine
CID 143741533
4-[4-morpholin-4-yl-6-(1-pyridin-4-ylsulfanylcyclobutyl)pyrimidin-2-yl]aniline
CID 143741656
1-[4-[4-[1-(2,5-difluorophenyl)sulfanylcyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-3-methylurea
CID 143741386
2-(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)ethanamine
CID 83852725
4-[2-chloro-6-(1-pyridin-2-ylsulfinylcyclopentyl)pyrimidin-4-yl]morpholine
CID 163915630

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine (CID 143742020) is 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine is Fc1ccc(SC2(c3cc(N4CCOCC4)nc(Cl)n3)CC2)cc1F.
What is the InChIKey of 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine?
The InChIKey is OABJXGFQBDGOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3OS/c18-16-21-14(10-15(22-16)23-5-7-24-8-6-23)17(3-4-17)25-11-1-2-12(19)13(20)9-11/h1-2,9-10H,3-8H2.
What are the key properties of 4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-[1-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine has a molecular weight of 383.85 g/mol, XLogP of 4.03, 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-(3,4-difluorophenyl)sulfanylcyclopropyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 143742020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).