3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one

C8H12N2O2 — CID 126857561

IUPAC3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CCO)c(=O)c1C
InChIInChI=1S/C8H12N2O2/c1-6-7(2)9-5-10(3-4-11)8(6)12/h5,11H,3-4H2,1-2H3
InChIKeyKYTOXSFLSWTPGN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.15
Rot. Bonds2

About 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one

3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one (PubChem CID 126857561) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
PubChem CID126857561
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CCO)c(=O)c1C
InChIInChI=1S/C8H12N2O2/c1-6-7(2)9-5-10(3-4-11)8(6)12/h5,11H,3-4H2,1-2H3
InChIKeyKYTOXSFLSWTPGN-UHFFFAOYSA-N
XLogP-0.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one (CID 126857561) is 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one is Cc1ncn(CCO)c(=O)c1C.
What is the InChIKey of 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one?
The InChIKey is KYTOXSFLSWTPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-7(2)9-5-10(3-4-11)8(6)12/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one?
3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126857561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).