5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride

C12H20ClN3O2 — CID 3041127

IUPAC5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)c(CN)cn(C2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O2.ClH/c1-14-11(16)9(7-13)8-15(12(14)17)10-5-3-2-4-6-10;/h8,10H,2-7,13H2,1H3;1H
InChIKeyPTFZIIFNTLJYLP-UHFFFAOYSA-N
MW273.76 g/mol
LogP0.93
Rot. Bonds2

About 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride

5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 3041127) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID3041127
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)c(CN)cn(C2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O2.ClH/c1-14-11(16)9(7-13)8-15(12(14)17)10-5-3-2-4-6-10;/h8,10H,2-7,13H2,1H3;1H
InChIKeyPTFZIIFNTLJYLP-UHFFFAOYSA-N
XLogP0.93
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Chinoin 127
CID 155639
N-hexyl-5-methyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71716387
1-Cyclohexylthymine
CID 96032
Uracil, 1-cyclohexyl-5-((dimethylamino)methyl)-3-methyl-, monohydrochloride
CID 3041129
Uracil, 3-cyclohexyl-5-((dimethylamino)methyl)-1-methyl-, monohydrochloride
CID 3041133
CID 421651
CID 421651
1-Hexyl-5-methylpyrimidine-2,4(1H,3H)-dione
CID 23274062
rel-(6R,9aS)-1,6,7,8,9,9a-Hexahydro-1,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 12473939
5-(Aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
CID 3041128
3-Fluoro-1-hexyl-2,4-dioxopyrimidine-5-carboxamide
CID 174579434
5-(Dihexylaminomethyl)uracil
CID 21625651
1-(5-Aminopentyl)thymine
CID 21791485

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride (CID 3041127) is 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(=O)c(CN)cn(C2CCCCC2)c1=O.
What is the InChIKey of 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is PTFZIIFNTLJYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-14-11(16)9(7-13)8-15(12(14)17)10-5-3-2-4-6-10;/h8,10H,2-7,13H2,1H3;1H.
What are the key properties of 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride?
5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3041127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).