1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione

C11H16N2O5 — CID 20822770

IUPAC1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione
SMILESCCCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C11H16N2O5/c1-2-3-6-8(15)9(16)10(18-6)13-5-4-7(14)12-11(13)17/h4-6,8-10,15-16H,2-3H2,1H3,(H,12,14,17)
InChIKeyFYPHHDCPCGJKFV-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.04
Rot. Bonds3

About 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione

1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 20822770) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione
PubChem CID20822770
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione
SMILESCCCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChIInChI=1S/C11H16N2O5/c1-2-3-6-8(15)9(16)10(18-6)13-5-4-7(14)12-11(13)17/h4-6,8-10,15-16H,2-3H2,1H3,(H,12,14,17)
InChIKeyFYPHHDCPCGJKFV-UHFFFAOYSA-N
XLogP-1.04
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
CID 70523066
CID 70523066
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-(4-hydroxy-3-methoxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione;propyl hypoiodite
CID 178052003
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;dioxovanadium
CID 87329408
2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl dihydrogen phosphate
CID 118604619
1-[(2S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 57120564

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione (CID 20822770) is 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione is CCCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O.
What is the InChIKey of 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is FYPHHDCPCGJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-2-3-6-8(15)9(16)10(18-6)13-5-4-7(14)12-11(13)17/h4-6,8-10,15-16H,2-3H2,1H3,(H,12,14,17).
What are the key properties of 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione?
1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxy-5-propyloxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 20822770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).