5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one

C10H14ClN3OS — CID 136971627

IUPAC5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2Cl)CCS1
InChIInChI=1S/C10H14ClN3OS/c1-10(2)5-14(3-4-16-10)8-7(11)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyLOYAXXWIPKLQNC-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.76
Rot. Bonds1

About 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one

5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136971627) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136971627
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2Cl)CCS1
InChIInChI=1S/C10H14ClN3OS/c1-10(2)5-14(3-4-16-10)8-7(11)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyLOYAXXWIPKLQNC-UHFFFAOYSA-N
XLogP1.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.76
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-(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
5-chloro-4-(7,7-dimethyl-1,4-thiazepan-4-yl)-1H-pyrimidin-6-one
CID 136905779
4-(2,6-dimethylthiomorpholin-4-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957898
4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957901
5-chloro-4-thiomorpholin-4-yl-1H-pyrimidin-6-one
CID 136970718
5-chloro-4-[methyl(thiolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136970759
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one (CID 136971627) is 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one is CC1(C)CN(c2nc[nH]c(=O)c2Cl)CCS1.
What is the InChIKey of 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is LOYAXXWIPKLQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-10(2)5-14(3-4-16-10)8-7(11)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one?
5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 259.76 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).