5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one

C8H10ClN3OS — CID 136970718

IUPAC5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCSCC2)c1Cl
InChIInChI=1S/C8H10ClN3OS/c9-6-7(10-5-11-8(6)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13)
InChIKeyWSGZAQYUFGXGQC-UHFFFAOYSA-N
MW231.71 g/mol
LogP0.98
Rot. Bonds1

About 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one

5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 136970718) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
PubChem CID136970718
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCSCC2)c1Cl
InChIInChI=1S/C8H10ClN3OS/c9-6-7(10-5-11-8(6)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13)
InChIKeyWSGZAQYUFGXGQC-UHFFFAOYSA-N
XLogP0.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[2-(diethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
CID 114791297
5-chloro-4-[2-(dimethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
CID 114791327
5-chloro-4-(2-prop-2-enylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842318
5-chloro-4-(2-prop-2-ynylsulfanylethylamino)-1H-pyrimidin-6-one
CID 136842329
5-chloro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136865943
5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 136876840
4-(2,6-dimethylthiomorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957898
5-bromo-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
CID 136970719
5-chloro-4-(1,4-thiazepan-4-yl)-1H-pyrimidin-6-one
CID 136970985
5-chloro-4-(3-methylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 136971319
5-chloro-4-(3-methylsulfonylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 136971397
5-chloro-4-(3-ethylsulfonylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 136971399

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one (CID 136970718) is 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCSCC2)c1Cl.
What is the InChIKey of 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is WSGZAQYUFGXGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-6-7(10-5-11-8(6)13)12-1-3-14-4-2-12/h5H,1-4H2,(H,10,11,13).
What are the key properties of 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one?
5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 231.71 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136970718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).