1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione

C8H12N2O4 — CID 4166253

IUPAC1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCO)c(=O)n1CCO
InChIInChI=1S/C8H12N2O4/c11-5-3-9-2-1-7(13)10(4-6-12)8(9)14/h1-2,11-12H,3-6H2
InChIKeyAKEISPWDGKTJAB-UHFFFAOYSA-N
MW200.19 g/mol
LogP-2.01
Rot. Bonds4

About 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione

1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione (PubChem CID 4166253) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione
PubChem CID4166253
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCO)c(=O)n1CCO
InChIInChI=1S/C8H12N2O4/c11-5-3-9-2-1-7(13)10(4-6-12)8(9)14/h1-2,11-12H,3-6H2
InChIKeyAKEISPWDGKTJAB-UHFFFAOYSA-N
XLogP-2.01
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione (CID 4166253) is 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione is O=c1ccn(CCO)c(=O)n1CCO.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione?
The InChIKey is AKEISPWDGKTJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-5-3-9-2-1-7(13)10(4-6-12)8(9)14/h1-2,11-12H,3-6H2.
What are the key properties of 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione?
1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione has a molecular weight of 200.19 g/mol, XLogP of -2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4166253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).