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

C14H24ClN3O2 — CID 3041129

IUPAC1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cn(C2CCCCC2)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18;/h10,12H,4-9H2,1-3H3;1H
InChIKeyZLMFXVPVTSWUDS-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.54
Rot. Bonds3

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

1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 3041129) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID3041129
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCN(C)Cc1cn(C2CCCCC2)c(=O)n(C)c1=O.Cl
InChIInChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18;/h10,12H,4-9H2,1-3H3;1H
InChIKeyZLMFXVPVTSWUDS-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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Related Compounds

1,3-Dicyclohexyl-5-dimethylaminomethylene-pyrimidine-2,4,6-trione
CID 646897
1-Cyclohexylthymine
CID 96032
Uracil, 5-(aminomethyl)-1-cyclohexyl-3-methyl-, monohydrochloride
CID 3041127
Uracil, 3-cyclohexyl-5-((dimethylamino)methyl)-1-methyl-, monohydrochloride
CID 3041133
Uracil, 1-cyclohexyl-3,6-dimethyl-5-((dimethylamino)methyl)-, monohydrochloride
CID 3041135
Uracil, 3-cyclohexyl-1,6-dimethyl-5-((dimethylamino)methyl)-, monohydrochloride
CID 3041141
CID 421651
CID 421651
5-(Aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
CID 3041128
1-(2-Aminoacetyl)-5-(aminomethyl)-3-cyclohexylpyrimidine-2,4-dione
CID 91416028
1-Cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione
CID 3041130
3-Cyclohexyl-5-[(dimethylamino)methyl]-1-methylpyrimidine-2,4-dione
CID 3041134
1-Cyclohexyl-5-[(dimethylamino)methyl]-3,6-dimethylpyrimidine-2,4-dione
CID 3041136

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride (CID 3041129) is 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride is CN(C)Cc1cn(C2CCCCC2)c(=O)n(C)c1=O.Cl.
What is the InChIKey of 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is ZLMFXVPVTSWUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.ClH/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18;/h10,12H,4-9H2,1-3H3;1H.
What are the key properties of 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
1-cyclohexyl-5-[(dimethylamino)methyl]-3-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 1-cyclohexyl-5-[(dimethylamino)methyl]-3-methylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3041129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).