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

C11H13N3OS — CID 137005906

IUPAC5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2csc(C)n2)[nH]c1=O
InChIInChI=1S/C11H13N3OS/c1-4-8-6(2)12-10(14-11(8)15)9-5-16-7(3)13-9/h5H,4H2,1-3H3,(H,12,14,15)
InChIKeyUAPLAZVCYKCDKD-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.07
Rot. Bonds2

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

5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 137005906) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
PubChem CID137005906
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2csc(C)n2)[nH]c1=O
InChIInChI=1S/C11H13N3OS/c1-4-8-6(2)12-10(14-11(8)15)9-5-16-7(3)13-9/h5H,4H2,1-3H3,(H,12,14,15)
InChIKeyUAPLAZVCYKCDKD-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005930
5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434746
2-(2,6-dichlorophenyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135996634
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135996660
8-(2-methyl-1,3-thiazol-4-yl)-3-propyl-7H-purine-2,6-dione
CID 115925487
N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72891553
5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996619
5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996623
2-(diethylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135698491
5-ethyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135819031
3-amino-4,6-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 23317701

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one (CID 137005906) is 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one is CCc1c(C)nc(-c2csc(C)n2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is UAPLAZVCYKCDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-4-8-6(2)12-10(14-11(8)15)9-5-16-7(3)13-9/h5H,4H2,1-3H3,(H,12,14,15).
What are the key properties of 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 235.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137005906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).