6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione

C14H21ClN2O2 — CID 113404691

IUPAC6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCC(C1CCCCC1)n1c(=O)[nH]c(Cl)c(C)c1=O
InChIInChI=1S/C14H21ClN2O2/c1-3-11(10-7-5-4-6-8-10)17-13(18)9(2)12(15)16-14(17)19/h10-11H,3-8H2,1-2H3,(H,16,19)
InChIKeyAEQCTJVUDQBPLI-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.03
Rot. Bonds3

About 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione

6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 113404691) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID113404691
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCC(C1CCCCC1)n1c(=O)[nH]c(Cl)c(C)c1=O
InChIInChI=1S/C14H21ClN2O2/c1-3-11(10-7-5-4-6-8-10)17-13(18)9(2)12(15)16-14(17)19/h10-11H,3-8H2,1-2H3,(H,16,19)
InChIKeyAEQCTJVUDQBPLI-UHFFFAOYSA-N
XLogP3.03
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 113404691) is 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione is CCC(C1CCCCC1)n1c(=O)[nH]c(Cl)c(C)c1=O.
What is the InChIKey of 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is AEQCTJVUDQBPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-11(10-7-5-4-6-8-10)17-13(18)9(2)12(15)16-14(17)19/h10-11H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 284.79 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-cyclohexylpropyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).