3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride

C14H24ClN3O2 — CID 3041133

IUPAC3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cn(C)c(=O)n(C2CCCCC2)c1=O.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-16(3)14(19)17(13(11)18)12-7-5-4-6-8-12;/h10,12H,4-9H2,1-3H3;1H
InChIKeyGGNFHYYJSQBWAM-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.54
Rot. Bonds3

About 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride

3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 3041133) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID3041133
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cn(C)c(=O)n(C2CCCCC2)c1=O.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-16(3)14(19)17(13(11)18)12-7-5-4-6-8-12;/h10,12H,4-9H2,1-3H3;1H
InChIKeyGGNFHYYJSQBWAM-UHFFFAOYSA-N
XLogP1.54
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.54
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)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride (CID 3041133) is 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride is CN(C)Cc1cn(C)c(=O)n(C2CCCCC2)c1=O.Cl.
What is the InChIKey of 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is GGNFHYYJSQBWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-16(3)14(19)17(13(11)18)12-7-5-4-6-8-12;/h10,12H,4-9H2,1-3H3;1H.
What are the key properties of 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride?
3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3041133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).