2-pentyl-4,5-dihydro-1H-pyrimidin-6-one

C9H16N2O — CID 67704551

IUPAC2-pentyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCCCCC1=NCCC(=O)N1
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-8-10-7-6-9(12)11-8/h2-7H2,1H3,(H,10,11,12)
InChIKeyGSIIGLCBOPHCHW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds4

About 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one

2-pentyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 67704551) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-pentyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID67704551
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-pentyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCCCCC1=NCCC(=O)N1
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-8-10-7-6-9(12)11-8/h2-7H2,1H3,(H,10,11,12)
InChIKeyGSIIGLCBOPHCHW-UHFFFAOYSA-N
XLogP1.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one;hydrochloride
CID 21750206
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2-Butyl-4,4-dimethyl-1,5-dihydropyrimidin-6-one
CID 21750211
1,2-Dipentyl-4,5-dihydropyrimidin-6-one
CID 67704553
2-ethyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 68346425
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206
2-pentyl-1H-pyrimidine-4,6-dione
CID 70582140
N-(C,N-dibutylcarbonimidoyl)acetamide
CID 87419306
N-(C-heptyl-N-methylcarbonimidoyl)acetamide
CID 89098173
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
CID 91076526
ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 91191437

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one (CID 67704551) is 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one is CCCCCC1=NCCC(=O)N1.
What is the InChIKey of 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is GSIIGLCBOPHCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-4-5-8-10-7-6-9(12)11-8/h2-7H2,1H3,(H,10,11,12).
What are the key properties of 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one?
2-pentyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 168.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 67704551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).