6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

C12H20N4O2 — CID 62062201

IUPAC6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCC(CN)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-14-10(5-11(17)15(2)12(14)18)8-16-4-3-9(6-13)7-16/h5,9H,3-4,6-8,13H2,1-2H3
InChIKeyUKQJBSOJVZFCNL-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.14
Rot. Bonds3

About 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 62062201) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID62062201
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CN2CCC(CN)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H20N4O2/c1-14-10(5-11(17)15(2)12(14)18)8-16-4-3-9(6-13)7-16/h5,9H,3-4,6-8,13H2,1-2H3
InChIKeyUKQJBSOJVZFCNL-UHFFFAOYSA-N
XLogP-1.14
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 62062201) is 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CN2CCC(CN)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UKQJBSOJVZFCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-14-10(5-11(17)15(2)12(14)18)8-16-4-3-9(6-13)7-16/h5,9H,3-4,6-8,13H2,1-2H3.
What are the key properties of 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 62062201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).