2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one

C8H12N2O2 — CID 137199813

IUPAC2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCOc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-4-12-8-9-6(3)5(2)7(11)10-8/h4H2,1-3H3,(H,9,10,11)
InChIKeyPEIBHZVWMSCKNM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.79
Rot. Bonds2

About 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one

2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137199813) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137199813
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCOc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-4-12-8-9-6(3)5(2)7(11)10-8/h4H2,1-3H3,(H,9,10,11)
InChIKeyPEIBHZVWMSCKNM-UHFFFAOYSA-N
XLogP0.79
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dimethyl-4-hydroxy-2-methoxypyrimidine
CID 135803836
2-methoxy-5-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136393873
6-amino-2-methoxy-5-methylpyrimidin-4(3H)-one
CID 135502011
2-butoxy-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 118940481
4,5-dimethyl-2-propan-2-yloxy-1H-pyrimidin-6-one
CID 135803823
5-Ethyl-4-hydroxy-6-methyl-2-methoxypyrimidine
CID 135803826
4-amino-2-butoxy-5-methyl-1H-pyrimidin-6-one
CID 137019361
2-ethoxy-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 146641829
2-butoxy-4,5-dimethyl-1H-pyrimidin-6-one
CID 137199814

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one (CID 137199813) is 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one is CCOc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is PEIBHZVWMSCKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-12-8-9-6(3)5(2)7(11)10-8/h4H2,1-3H3,(H,9,10,11).
What are the key properties of 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one?
2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137199813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).