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

C7H10N2O3 — CID 123462813

IUPAC1-(1-hydroxypropyl)pyrimidine-2,4-dione
SMILESCCC(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-6(11)9-4-3-5(10)8-7(9)12/h3-4,6,11H,2H2,1H3,(H,8,10,12)
InChIKeyNMGOYIIJJQABGO-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.56
Rot. Bonds2

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

1-(1-hydroxypropyl)pyrimidine-2,4-dione (PubChem CID 123462813) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(1-hydroxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-hydroxypropyl)pyrimidine-2,4-dione
PubChem CID123462813
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(1-hydroxypropyl)pyrimidine-2,4-dione
SMILESCCC(O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O3/c1-2-6(11)9-4-3-5(10)8-7(9)12/h3-4,6,11H,2H2,1H3,(H,8,10,12)
InChIKeyNMGOYIIJJQABGO-UHFFFAOYSA-N
XLogP-0.56
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-(3-oxopentan-2-yl)pyrimidine-2,4-dione
CID 64868893
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-(1-hydroxybut-2-enyl)pyrimidine-2,4-dione
CID 66841272
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174
1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
CID 102016797
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-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-hydroxypropyl)pyrimidine-2,4-dione (CID 123462813) is 1-(1-hydroxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-hydroxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-hydroxypropyl)pyrimidine-2,4-dione is CCC(O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-hydroxypropyl)pyrimidine-2,4-dione?
The InChIKey is NMGOYIIJJQABGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-6(11)9-4-3-5(10)8-7(9)12/h3-4,6,11H,2H2,1H3,(H,8,10,12).
What are the key properties of 1-(1-hydroxypropyl)pyrimidine-2,4-dione?
1-(1-hydroxypropyl)pyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 123462813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).