N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane

C17H25N3O2 — CID 143940497

IUPACN-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
SMILESCC.Cc1ncc(CC(=O)NCCC2=CCCC=C2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2.C2H6/c1-11-17-10-13(15(20)18-11)9-14(19)16-8-7-12-5-3-2-4-6-12;1-2/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,19)(H,17,18,20);1-2H3
InChIKeyOVZDQTBMKQDJFA-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.43
Rot. Bonds5

About N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane

N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane (PubChem CID 143940497) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
PubChem CID143940497
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
SMILESCC.Cc1ncc(CC(=O)NCCC2=CCCC=C2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2.C2H6/c1-11-17-10-13(15(20)18-11)9-14(19)16-8-7-12-5-3-2-4-6-12;1-2/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,19)(H,17,18,20);1-2H3
InChIKeyOVZDQTBMKQDJFA-UHFFFAOYSA-N
XLogP2.43
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
2-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
CID 21273297
2-(4-Oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 139979750
(2Z)-2-(aminomethylidene)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N-ethylbutanediamide;but-2-yne;2,5-dimethyl-1H-pyrimidin-6-one;ethane
CID 143940559
2-methyl-5-[2-(2-methyl-2,7a-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-6-one
CID 143940563
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940630
4-ethyl-5-[2-[[(3Z,6Z)-octa-3,6-dienyl]amino]ethyl]-2-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-pyrimidin-6-one
CID 145481585
2-[(6-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one
CID 153895550
N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 50978433

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane (CID 143940497) is N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane.
What is the SMILES notation for N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The canonical SMILES for N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane is CC.Cc1ncc(CC(=O)NCCC2=CCCC=C2)c(=O)[nH]1.
What is the InChIKey of N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The InChIKey is OVZDQTBMKQDJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.C2H6/c1-11-17-10-13(15(20)18-11)9-14(19)16-8-7-12-5-3-2-4-6-12;1-2/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,19)(H,17,18,20);1-2H3.
What are the key properties of N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane has a molecular weight of 303.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane is sourced from PubChem (CID 143940497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).