5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one

C8H12N2O2 — CID 135459367

IUPAC5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-5-7(3-4-11)8(12)10-6(2)9-5/h11H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyNWJMOPQMBUDEJB-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.08
Rot. Bonds2

About 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one

5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135459367) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135459367
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CCO)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-5-7(3-4-11)8(12)10-6(2)9-5/h11H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyNWJMOPQMBUDEJB-UHFFFAOYSA-N
XLogP-0.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one (CID 135459367) is 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(CCO)c(=O)[nH]1.
What is the InChIKey of 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NWJMOPQMBUDEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-7(3-4-11)8(12)10-6(2)9-5/h11H,3-4H2,1-2H3,(H,9,10,12).
What are the key properties of 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one?
5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).