3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione

C13H21N3O2 — CID 3041247

IUPAC3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione
SMILESCN(C)c1cn(C)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-14(2)11-9-15(3)13(18)16(12(11)17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyLGTBOIFEURNNPJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.12
Rot. Bonds2

About 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione

3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione (PubChem CID 3041247) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione
PubChem CID3041247
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione
SMILESCN(C)c1cn(C)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-14(2)11-9-15(3)13(18)16(12(11)17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeyLGTBOIFEURNNPJ-UHFFFAOYSA-N
XLogP1.12
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione (CID 3041247) is 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione is CN(C)c1cn(C)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione?
The InChIKey is LGTBOIFEURNNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-14(2)11-9-15(3)13(18)16(12(11)17)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione?
3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(dimethylamino)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3041247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).