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

C15H19N3O2 — CID 143940498

IUPACN-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ncc(CC(=O)NCCC2=CCCC=C2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-11-17-10-13(15(20)18-11)9-14(19)16-8-7-12-5-3-2-4-6-12/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyPLMFDEMNEPXPDN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.40
Rot. Bonds5

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

N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 143940498) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID143940498
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCc1ncc(CC(=O)NCCC2=CCCC=C2)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-11-17-10-13(15(20)18-11)9-14(19)16-8-7-12-5-3-2-4-6-12/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,19)(H,17,18,20)
InChIKeyPLMFDEMNEPXPDN-UHFFFAOYSA-N
XLogP1.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide with MolForge

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 7-methyl-4-oxo-N-propyl-
CID 3079291
4H-Pyrido(1,2-a)pyrimidine-3-acetamide, 6-methyl-4-oxo-N-propyl-
CID 3079294
1-ethyl-N-(2-fluoro-2,3-dihydropyridin-6-yl)-6-oxopyridine-3-carboxamide
CID 155153118
N-isopropyl-6-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxyamide
CID 129791683
N-isobutyl-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878712
7-methyl-4-oxo-N-prop-2-enylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878715
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
6-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-2,3-dihydro-1H-indolizin-5-one
CID 129160222
2-methyl-5-[(4Z,6Z)-3-methylideneocta-4,6-dienyl]-1H-pyrimidin-6-one
CID 130369229
2-(4-Oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 139979750
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488

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?
The IUPAC name of N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 143940498) is N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is 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?
The InChIKey is PLMFDEMNEPXPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-17-10-13(15(20)18-11)9-14(19)16-8-7-12-5-3-2-4-6-12/h3,5-6,10H,2,4,7-9H2,1H3,(H,16,19)(H,17,18,20).
What are the key properties of N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(2-cyclohexa-1,5-dien-1-ylethyl)-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.40, 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 is sourced from PubChem (CID 143940498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).