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

C14H24N4O2 — CID 60856037

IUPAC6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN1CCC(CNCc2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H24N4O2/c1-4-18-6-5-11(10-18)8-15-9-12-7-13(19)17(3)14(20)16(12)2/h7,11,15H,4-6,8-10H2,1-3H3
InChIKeyZKITYRLYJFMBTM-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.48
Rot. Bonds5

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

6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 60856037) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID60856037
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN1CCC(CNCc2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H24N4O2/c1-4-18-6-5-11(10-18)8-15-9-12-7-13(19)17(3)14(20)16(12)2/h7,11,15H,4-6,8-10H2,1-3H3
InChIKeyZKITYRLYJFMBTM-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
6-(3-Aminopyrrolidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione dihydrochloride
CID 132343958
6-[(3R)-3-aminopyrrolidin-1-yl]-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 145867708
N-{1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]pyrrolidin-3-yl}acetamide
CID 91838023
1,3-Bis(b-aminoethyl)-6-methyluracil
CID 12641807
6-[(4-Aminobutylamino)methyl]uracil
CID 25210540
1,3-Bis-(omega-ethylaminopropyl)-6-methyluracil
CID 129868033
6-(3-Aminopyrrolidin-1-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 56770225
6-[(3R)-3-aminopyrrolidin-1-yl]-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 145867667
6-Methyl-1,3-bis[2-(methylamino)ethyl]pyrimidine-2,4-dione
CID 21331395
6-[(3-aminopropylamino)methyl]-2-methyl-2,3-dihydro-1H-pyrimidin-4-one
CID 21698041

Frequently Asked Questions

What is the IUPAC name of 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 60856037) is 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CCN1CCC(CNCc2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZKITYRLYJFMBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-18-6-5-11(10-18)8-15-9-12-7-13(19)17(3)14(20)16(12)2/h7,11,15H,4-6,8-10H2,1-3H3.
What are the key properties of 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 60856037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).