2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one

C16H17N3O2 — CID 143940563

IUPAC2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2C(C)C=C3C=CC=CC32)c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10-7-12-5-3-4-6-14(12)19(10)15(20)8-13-9-17-11(2)18-16(13)21/h3-7,9-10,14H,8H2,1-2H3,(H,17,18,21)
InChIKeyPNYNBFABWAOWAR-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.27
Rot. Bonds2

About 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one

2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 143940563) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID143940563
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2C(C)C=C3C=CC=CC32)c(=O)[nH]1
InChIInChI=1S/C16H17N3O2/c1-10-7-12-5-3-4-6-14(12)19(10)15(20)8-13-9-17-11(2)18-16(13)21/h3-7,9-10,14H,8H2,1-2H3,(H,17,18,21)
InChIKeyPNYNBFABWAOWAR-UHFFFAOYSA-N
XLogP1.27
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-acetamide, 6-methyl-4-oxo-N-propyl-
CID 3079294
N-isopropyl-6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxyamide
CID 129791683
5-{2-[(2R*,6R*)-2-allyl-6-methyl-3,6-dihydropyridin-1(2H)-yl]-2-oxoethyl}-2,6-dimethylpyrimidin-4(3H)-one
CID 136109862
6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one
CID 129160222
N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940497
2,4-dimethyl-5-[1-[(1-methyl-6-oxo-3-pyridinyl)amino]ethyl]-1H-pyrimidin-6-one
CID 135968749
5-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136024550
2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]acetamide
CID 136288703
N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 143940498
2-[3-(4-Methylpiperazin-1-yl)-3-oxopropyl]-3,5-dihydrocyclopenta[d]pyrimidin-4-one
CID 160063049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one (CID 143940563) is 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2C(C)C=C3C=CC=CC32)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is PNYNBFABWAOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-7-12-5-3-4-6-14(12)19(10)15(20)8-13-9-17-11(2)18-16(13)21/h3-7,9-10,14H,8H2,1-2H3,(H,17,18,21).
What are the key properties of 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 283.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 143940563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).