5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione

C7H10N2O3 — CID 598330

IUPAC5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CO)c(=O)n(C)c1=O
InChIInChI=1S/C7H10N2O3/c1-8-3-5(4-10)6(11)9(2)7(8)12/h3,10H,4H2,1-2H3
InChIKeyMWIZCLSZLXZSLV-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.42
Rot. Bonds1

About 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione

5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 598330) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID598330
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CO)c(=O)n(C)c1=O
InChIInChI=1S/C7H10N2O3/c1-8-3-5(4-10)6(11)9(2)7(8)12/h3,10H,4H2,1-2H3
InChIKeyMWIZCLSZLXZSLV-UHFFFAOYSA-N
XLogP-1.42
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 598330) is 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CO)c(=O)n(C)c1=O.
What is the InChIKey of 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MWIZCLSZLXZSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-8-3-5(4-10)6(11)9(2)7(8)12/h3,10H,4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 598330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).