5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione

C9H14N2O4 — CID 586807

IUPAC5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CCCC(O)CO)c(=O)[nH]1
InChIInChI=1S/C9H14N2O4/c12-5-7(13)3-1-2-6-4-10-9(15)11-8(6)14/h4,7,12-13H,1-3,5H2,(H2,10,11,14,15)
InChIKeyAMIOJPURYLGJEG-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.26
Rot. Bonds5

About 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione

5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione (PubChem CID 586807) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione
PubChem CID586807
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CCCC(O)CO)c(=O)[nH]1
InChIInChI=1S/C9H14N2O4/c12-5-7(13)3-1-2-6-4-10-9(15)11-8(6)14/h4,7,12-13H,1-3,5H2,(H2,10,11,14,15)
InChIKeyAMIOJPURYLGJEG-UHFFFAOYSA-N
XLogP-1.26
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione (CID 586807) is 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CCCC(O)CO)c(=O)[nH]1.
What is the InChIKey of 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione?
The InChIKey is AMIOJPURYLGJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c12-5-7(13)3-1-2-6-4-10-9(15)11-8(6)14/h4,7,12-13H,1-3,5H2,(H2,10,11,14,15).
What are the key properties of 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione?
5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydroxypentyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 586807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).