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

C12H20N4O2 — CID 120908866

IUPAC5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CN(Cc2cn(C)c(=O)n(C)c2=O)CC1N
InChIInChI=1S/C12H20N4O2/c1-8-4-16(7-10(8)13)6-9-5-14(2)12(18)15(3)11(9)17/h5,8,10H,4,6-7,13H2,1-3H3
InChIKeyPLSYBGPLVDMMLW-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.14
Rot. Bonds2

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

5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 120908866) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID120908866
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CN(Cc2cn(C)c(=O)n(C)c2=O)CC1N
InChIInChI=1S/C12H20N4O2/c1-8-4-16(7-10(8)13)6-9-5-14(2)12(18)15(3)11(9)17/h5,8,10H,4,6-7,13H2,1-3H3
InChIKeyPLSYBGPLVDMMLW-UHFFFAOYSA-N
XLogP-1.14
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 167875980
1-[(2-bromophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575185
4-methyl-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909872
1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909656
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-methyl-1,3-benzothiazol-2-one
CID 120909365
1-[(2-ethyl-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909227
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120908869
1-[(2-chloro-5-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103576941
1-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575263
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 120908866) is 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione is CC1CN(Cc2cn(C)c(=O)n(C)c2=O)CC1N.
What is the InChIKey of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PLSYBGPLVDMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-4-16(7-10(8)13)6-9-5-14(2)12(18)15(3)11(9)17/h5,8,10H,4,6-7,13H2,1-3H3.
What are the key properties of 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 120908866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).