4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine

C9H11Cl2N3OS — CID 102286122

IUPAC4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine
SMILESCSc1nc(Cl)c(N2CCOCC2)c(Cl)n1
InChIInChI=1S/C9H11Cl2N3OS/c1-16-9-12-7(10)6(8(11)13-9)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyCTPKUGWNWTWWAH-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.34
Rot. Bonds2

About 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine

4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine (PubChem CID 102286122) has the molecular formula C9H11Cl2N3OS and a molecular weight of 280.18 g/mol. Its IUPAC name is 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine.

Molecular Properties

Compound Name4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine
PubChem CID102286122
Molecular FormulaC9H11Cl2N3OS
Molecular Weight280.18 g/mol
Exact Mass279.00
IUPAC Name4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine
SMILESCSc1nc(Cl)c(N2CCOCC2)c(Cl)n1
InChIInChI=1S/C9H11Cl2N3OS/c1-16-9-12-7(10)6(8(11)13-9)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyCTPKUGWNWTWWAH-UHFFFAOYSA-N
XLogP2.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(6-hydroxy-1,4-oxazepan-4-yl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 176675076
4-(2-methylsulfanylquinazolin-4-yl)morpholine
CID 658307
4-(2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)morpholine
CID 117101498
4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-methyl-1,4-oxazepane
CID 144717519
ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate
CID 168654698
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
CID 134511412
4-(4-chloro-2-ethylsulfanyl-6-morpholin-4-ylpteridin-7-yl)morpholine
CID 172797921
4-[6-chloro-2-[4-[4-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]-5-methylsulfanylpyrimidin-4-yl]morpholine
CID 142765183
CID 174749027
CID 174749027
2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
CID 28905472
3-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenol
CID 89120666
4-(4-chloro-6-ethylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62866324

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine?
The IUPAC name of 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine (CID 102286122) is 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine.
What is the SMILES notation for 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine?
The canonical SMILES for 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine is CSc1nc(Cl)c(N2CCOCC2)c(Cl)n1.
What is the InChIKey of 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine?
The InChIKey is CTPKUGWNWTWWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3OS/c1-16-9-12-7(10)6(8(11)13-9)14-2-4-15-5-3-14/h2-5H2,1H3.
What are the key properties of 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine?
4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine has a molecular weight of 280.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)morpholine is sourced from PubChem (CID 102286122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).