2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

C12H15N3O2 — CID 135996660

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2c(C)noc2C)[nH]c1=O
InChIInChI=1S/C12H15N3O2/c1-5-9-6(2)13-11(14-12(9)16)10-7(3)15-17-8(10)4/h5H2,1-4H3,(H,13,14,16)
InChIKeyRIBGUGOZNGUZHP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.91
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135996660) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135996660
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2c(C)noc2C)[nH]c1=O
InChIInChI=1S/C12H15N3O2/c1-5-9-6(2)13-11(14-12(9)16)10-7(3)15-17-8(10)4/h5H2,1-4H3,(H,13,14,16)
InChIKeyRIBGUGOZNGUZHP-UHFFFAOYSA-N
XLogP1.91
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63613128
2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135996634
2,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)-3H-quinazolin-4-one
CID 137205106
5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrimidin-6-one
CID 66312195
5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 137005906
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 55210530
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62203510
2-(diethylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135698491
5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135819031
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 136665153
5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996619
ethyl 2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate
CID 136630510

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 135996660) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCc1c(C)nc(-c2c(C)noc2C)[nH]c1=O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RIBGUGOZNGUZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-5-9-6(2)13-11(14-12(9)16)10-7(3)15-17-8(10)4/h5H2,1-4H3,(H,13,14,16).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 233.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135996660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).