6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione

C11H17N3O2S — CID 114123023

IUPAC6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione
SMILESCSC1CCC(n2c(N)cc(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O2S/c1-17-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)16/h6-8H,2-5,12H2,1H3,(H,13,15,16)
InChIKeyHXQLIELGOCUNCF-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.97
Rot. Bonds2

About 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione

6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione (PubChem CID 114123023) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione
PubChem CID114123023
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione
SMILESCSC1CCC(n2c(N)cc(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O2S/c1-17-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)16/h6-8H,2-5,12H2,1H3,(H,13,15,16)
InChIKeyHXQLIELGOCUNCF-UHFFFAOYSA-N
XLogP0.97
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-1-cyclopentyl-2-sulfanylidenepyrimidin-4-one
CID 19614622
6-amino-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-2,4-dione
CID 54967841
6-hydroxy-1-(4-methylcyclohexyl)pyrimidine-2,4-dione
CID 104963576
6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
CID 71480123
tert-butyl 4-(6-hydroxy-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 91537808
2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid
CID 83852450
6-amino-1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrimidine-2,4-dione
CID 98243165
3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
CID 69179314
6-amino-3-(4-propan-2-ylcyclohexyl)-1H-quinazoline-2,4-dione
CID 158247867
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
4-cyclopropyl-1,2,4-triazolidine-3,5-dione
CID 100941497
3-cyclopropyl-4,6-dihydro-1H-furo[3,4-d]imidazol-2-one
CID 130220294

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione (CID 114123023) is 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione is CSC1CCC(n2c(N)cc(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione?
The InChIKey is HXQLIELGOCUNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-17-8-4-2-7(3-5-8)14-9(12)6-10(15)13-11(14)16/h6-8H,2-5,12H2,1H3,(H,13,15,16).
What are the key properties of 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione?
6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione has a molecular weight of 255.34 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-methylsulfanylcyclohexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 114123023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).