6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one

C14H17N3O2 — CID 62024148

IUPAC6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2cc(C)n(C)c2C)cn1
InChIInChI=1S/C14H17N3O2/c1-9-5-14(19)17(8-15-9)7-13(18)12-6-10(2)16(4)11(12)3/h5-6,8H,7H2,1-4H3
InChIKeyROZRHQYNJKNQPS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds3

About 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one

6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one (PubChem CID 62024148) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one
PubChem CID62024148
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2cc(C)n(C)c2C)cn1
InChIInChI=1S/C14H17N3O2/c1-9-5-14(19)17(8-15-9)7-13(18)12-6-10(2)16(4)11(12)3/h5-6,8H,7H2,1-4H3
InChIKeyROZRHQYNJKNQPS-UHFFFAOYSA-N
XLogP1.39
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 62024868
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 62025793
2-(5,6-dimethylbenzimidazol-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 32514215
(E)-3-methyl-4-(4-methyl-6-oxopyrimidin-1-yl)but-2-enoic acid
CID 63774126
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 7802599
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-6-methylpyrimidin-4-one
CID 62025426
4-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]benzonitrile
CID 62025794
5,5-dimethyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4-dione
CID 7181988
3-(2-chloroethyl)-6-methylpyrimidin-4-one
CID 61224367
2,2-dimethyl-5-(4-methyl-6-oxopyrimidin-1-yl)pentanoic acid
CID 65254955
3-(3-chloropropyl)-6-methylpyrimidin-4-one
CID 61224365
2-methoxy-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 43799554

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one (CID 62024148) is 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one is Cc1cc(=O)n(CC(=O)c2cc(C)n(C)c2C)cn1.
What is the InChIKey of 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one?
The InChIKey is ROZRHQYNJKNQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-5-14(19)17(8-15-9)7-13(18)12-6-10(2)16(4)11(12)3/h5-6,8H,7H2,1-4H3.
What are the key properties of 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one?
6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 62024148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).