6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione

C14H21ClN2O2 — CID 113404181

IUPAC6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(C2CCC(C)C(C)C2)c1=O
InChIInChI=1S/C14H21ClN2O2/c1-4-11-12(15)16-14(19)17(13(11)18)10-6-5-8(2)9(3)7-10/h8-10H,4-7H2,1-3H3,(H,16,19)
InChIKeyRZDWREDKMJEIOY-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.75
Rot. Bonds2

About 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione

6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 113404181) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione
PubChem CID113404181
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(C2CCC(C)C(C)C2)c1=O
InChIInChI=1S/C14H21ClN2O2/c1-4-11-12(15)16-14(19)17(13(11)18)10-6-5-8(2)9(3)7-10/h8-10H,4-7H2,1-3H3,(H,16,19)
InChIKeyRZDWREDKMJEIOY-UHFFFAOYSA-N
XLogP2.75
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione
CID 114542411
6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 113404478
6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107854464
5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
CID 114542387
6-chloro-5-methyl-3-(1-propylpiperidin-4-yl)-1H-pyrimidine-2,4-dione
CID 113404539
1-(3,4-dimethylcyclohexyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64973434
6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione
CID 113404466
6-chloro-5-fluoro-3-(3-methylsulfanylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 114122650
3-(3,4-dimethylcyclohexyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 64743489
3-(3,4-dimethylcyclohexyl)-2,5-diethylimidazolidin-4-one
CID 83263458
1-(3,4-dimethylcyclohexyl)imidazolidin-2-one
CID 115370706
6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404568

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione (CID 113404181) is 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione is CCc1c(Cl)[nH]c(=O)n(C2CCC(C)C(C)C2)c1=O.
What is the InChIKey of 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is RZDWREDKMJEIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-11-12(15)16-14(19)17(13(11)18)10-6-5-8(2)9(3)7-10/h8-10H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 284.79 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).