1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione

C10H15N3O3 — CID 170586971

IUPAC1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCNCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C10H15N3O3/c1-11-6-7-2-3-9(16-7)13-5-4-8(14)12-10(13)15/h4-5,7,9,11H,2-3,6H2,1H3,(H,12,14,15)
InChIKeyKPGGDOVYLFJCGQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.57
Rot. Bonds3

About 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 170586971) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID170586971
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCNCC1CCC(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C10H15N3O3/c1-11-6-7-2-3-9(16-7)13-5-4-8(14)12-10(13)15/h4-5,7,9,11H,2-3,6H2,1H3,(H,12,14,15)
InChIKeyKPGGDOVYLFJCGQ-UHFFFAOYSA-N
XLogP-0.57
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 23261037
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
ethane;1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;propane-2,2-diol
CID 163227427
2-[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetaldehyde;methoxymethane
CID 178082508
1-[(2R,5S)-5-(phosphorosooxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70849208
[5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-diethoxy-hydroxyphosphanium
CID 172580649
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
5-(2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde;methanol
CID 169252397
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70261386

Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 170586971) is 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione is CNCC1CCC(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is KPGGDOVYLFJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-11-6-7-2-3-9(16-7)13-5-4-8(14)12-10(13)15/h4-5,7,9,11H,2-3,6H2,1H3,(H,12,14,15).
What are the key properties of 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 225.25 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylaminomethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 170586971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).