1-(1-methoxypropyl)pyrimidine-2,4-dione

C8H12N2O3 — CID 123872593

IUPAC1-(1-methoxypropyl)pyrimidine-2,4-dione
SMILESCCC(OC)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-3-7(13-2)10-5-4-6(11)9-8(10)12/h4-5,7H,3H2,1-2H3,(H,9,11,12)
InChIKeyDBRRDDXJMGRINC-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.09
Rot. Bonds3

About 1-(1-methoxypropyl)pyrimidine-2,4-dione

1-(1-methoxypropyl)pyrimidine-2,4-dione (PubChem CID 123872593) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(1-methoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-methoxypropyl)pyrimidine-2,4-dione
PubChem CID123872593
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(1-methoxypropyl)pyrimidine-2,4-dione
SMILESCCC(OC)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-3-7(13-2)10-5-4-6(11)9-8(10)12/h4-5,7H,3H2,1-2H3,(H,9,11,12)
InChIKeyDBRRDDXJMGRINC-UHFFFAOYSA-N
XLogP0.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
1-[1-(2-hydroxyethoxy)-2-methoxyethyl]pyrimidine-2,4-dione
CID 167508864
1-(1-hydroxypropyl)pyrimidine-2,4-dione
CID 123462813
(2S)-2-[(1R)-1-(2,4-dioxopyrimidin-1-yl)-2-methoxyethoxy]butanal
CID 159995900
1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione
CID 10949247
1-[1-[(3S)-1-hydroxy-2-methoxypentan-3-yl]oxyethyl]pyrimidine-2,4-dione
CID 173465401
1-[(1R)-2-hydroxy-1-[3-(hydroxymethyl)pentan-3-yloxy]ethyl]pyrimidine-2,4-dione
CID 118667648
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
(2S)-2-methoxybutan-1-ol;1-methylpyrimidine-2,4-dione
CID 145045789

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-methoxypropyl)pyrimidine-2,4-dione (CID 123872593) is 1-(1-methoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-methoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-methoxypropyl)pyrimidine-2,4-dione is CCC(OC)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-methoxypropyl)pyrimidine-2,4-dione?
The InChIKey is DBRRDDXJMGRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-7(13-2)10-5-4-6(11)9-8(10)12/h4-5,7H,3H2,1-2H3,(H,9,11,12).
What are the key properties of 1-(1-methoxypropyl)pyrimidine-2,4-dione?
1-(1-methoxypropyl)pyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 123872593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).