1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione

C7H10N2O4 — CID 3424069

IUPAC1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(O)CO)c(=O)[nH]1
InChIInChI=1S/C7H10N2O4/c10-4-5(11)3-9-2-1-6(12)8-7(9)13/h1-2,5,10-11H,3-4H2,(H,8,12,13)
InChIKeyUPONUIQDSKBZHK-UHFFFAOYSA-N
MW186.17 g/mol
LogP-2.11
Rot. Bonds3

About 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione

1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione (PubChem CID 3424069) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione
PubChem CID3424069
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(O)CO)c(=O)[nH]1
InChIInChI=1S/C7H10N2O4/c10-4-5(11)3-9-2-1-6(12)8-7(9)13/h1-2,5,10-11H,3-4H2,(H,8,12,13)
InChIKeyUPONUIQDSKBZHK-UHFFFAOYSA-N
XLogP-2.11
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-Hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione
CID 3000770
1-(2-Hydroxyethyl)pyrimidine-2,4(1H,3H)-dione
CID 11030057
Phosphonic acid, (((S)-2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1-(hydroxymethyl)ethoxy)methyl)-
CID 451933
1-((2-Hydroxyethoxy)methyl)uracil
CID 453565
1-[(2S)-2,3-dihydroxypropyl]pyrimidine-2,4-dione
CID 1516848
1-(3-Hydroxypropyl)uracil
CID 11600743
1-[(S)-3,4-Dihydroxybutyl]uracil
CID 12486303
Acq2hmx3P6
CID 12803290
(R)-1-(2,3-Dihydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CID 15957687
[1-[(2,4-Dioxopyrimidin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid
CID 490497
1-[(2R,3R)-2,3,4-Trihydroxybutyl]uracil
CID 15957694
1-[(2RS,3SR)-2,3,4-Trihydroxybutyl]uracil
CID 15957695

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione (CID 3424069) is 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione is O=c1ccn(CC(O)CO)c(=O)[nH]1.
What is the InChIKey of 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione?
The InChIKey is UPONUIQDSKBZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-4-5(11)3-9-2-1-6(12)8-7(9)13/h1-2,5,10-11H,3-4H2,(H,8,12,13).
What are the key properties of 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione?
1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione has a molecular weight of 186.17 g/mol, XLogP of -2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3424069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).