6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H24N4O2 — CID 43233578

IUPAC6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN1CCCC1CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H24N4O2/c1-4-18-7-5-6-11(18)9-15-10-12-8-13(19)17(3)14(20)16(12)2/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyLLTTVSIHENIIII-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.34
Rot. Bonds5

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

6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43233578) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43233578
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN1CCCC1CNCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H24N4O2/c1-4-18-7-5-6-11(18)9-15-10-12-8-13(19)17(3)14(20)16(12)2/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyLLTTVSIHENIIII-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 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43233578) is 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CCN1CCCC1CNCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LLTTVSIHENIIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-18-7-5-6-11(18)9-15-10-12-8-13(19)17(3)14(20)16(12)2/h8,11,15H,4-7,9-10H2,1-3H3.
What are the key properties of 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(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 6-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43233578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).