5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

C13H23ClN4O2 — CID 120780767

IUPAC5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1cc(CN2CCC(C)(CN)C2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2.ClH/c1-13(8-14)4-5-17(9-13)7-10-6-15(2)12(19)16(3)11(10)18;/h6H,4-5,7-9,14H2,1-3H3;1H
InChIKeyRXJOJLWIKNWKRP-UHFFFAOYSA-N
MW302.81 g/mol
LogP-0.32
Rot. Bonds3

About 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride

5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (PubChem CID 120780767) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
PubChem CID120780767
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1cc(CN2CCC(C)(CN)C2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2.ClH/c1-13(8-14)4-5-17(9-13)7-10-6-15(2)12(19)16(3)11(10)18;/h6H,4-5,7-9,14H2,1-3H3;1H
InChIKeyRXJOJLWIKNWKRP-UHFFFAOYSA-N
XLogP-0.32
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 120777245
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771
[1-[(4-bromo-2-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781223
7-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 120771351
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
[1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771819
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (CID 120780767) is 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is Cl.Cn1cc(CN2CCC(C)(CN)C2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is RXJOJLWIKNWKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-13(8-14)4-5-17(9-13)7-10-6-15(2)12(19)16(3)11(10)18;/h6H,4-5,7-9,14H2,1-3H3;1H.
What are the key properties of 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 120780767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).