6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione

C7H8N2O4 — CID 1385843

IUPAC6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h2H2,1H3,(H3,8,9,11,12,13)
InChIKeyCWBDTZPCSXGXHD-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.64
Rot. Bonds2

About 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione

6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione (PubChem CID 1385843) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
PubChem CID1385843
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h2H2,1H3,(H3,8,9,11,12,13)
InChIKeyCWBDTZPCSXGXHD-UHFFFAOYSA-N
XLogP-0.64
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione (CID 1385843) is 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione is CCC(=O)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione?
The InChIKey is CWBDTZPCSXGXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h2H2,1H3,(H3,8,9,11,12,13).
What are the key properties of 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione?
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione has a molecular weight of 184.15 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1385843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).