5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H24N4O2 — CID 43201535

IUPAC5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN1CCCC1CNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O2/c1-4-18-7-5-6-12(18)9-15-8-11-10-16(2)14(20)17(3)13(11)19/h10,12,15H,4-9H2,1-3H3
InChIKeySCROFXDRCJGVHA-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.34
Rot. Bonds5

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

5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43201535) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43201535
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN1CCCC1CNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O2/c1-4-18-7-5-6-12(18)9-15-8-11-10-16(2)14(20)17(3)13(11)19/h10,12,15H,4-9H2,1-3H3
InChIKeySCROFXDRCJGVHA-UHFFFAOYSA-N
XLogP-0.34
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43201535) is 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CCN1CCCC1CNCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SCROFXDRCJGVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-18-7-5-6-12(18)9-15-8-11-10-16(2)14(20)17(3)13(11)19/h10,12,15H,4-9H2,1-3H3.
What are the key properties of 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of -0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43201535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).