3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione

C13H18N2O2S — CID 70553864

IUPAC3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)n1C1CCCCC1)SCCC2
InChIInChI=1S/C13H18N2O2S/c16-12-11-10(7-4-8-18-11)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
InChIKeyYUJBYMNUGKTLAM-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.08
Rot. Bonds1

About 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione

3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione (PubChem CID 70553864) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione
PubChem CID70553864
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)n1C1CCCCC1)SCCC2
InChIInChI=1S/C13H18N2O2S/c16-12-11-10(7-4-8-18-11)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
InChIKeyYUJBYMNUGKTLAM-UHFFFAOYSA-N
XLogP2.08
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione;pyrimidine
CID 70499128
(7S)-3-cyclohexyl-7-sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 39847871
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
1-cyclohexyl-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 40805408
1-cyclononyl-3,5-di(cyclooctyl)-1,3,5-triazinane-2,4,6-trione
CID 148955013
3-cyclohexyl-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261439
(7R)-3-cyclohexyl-7-phenoxy-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 51700893
4-bromo-3-cyclohexyl-1H-imidazol-2-one
CID 172993329
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262016
1-cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
3-cyclopropyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-one
CID 130220294

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione (CID 70553864) is 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)n1C1CCCCC1)SCCC2.
What is the InChIKey of 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YUJBYMNUGKTLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12-11-10(7-4-8-18-11)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17).
What are the key properties of 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione?
3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione has a molecular weight of 266.37 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,6,7,8-tetrahydrothiopyrano[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 70553864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).