2-pentyl-1H-pyrimidine-4,6-dione

C9H14N2O2 — CID 70582140

IUPAC2-pentyl-1H-pyrimidine-4,6-dione
SMILESCCCCCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-7-10-8(12)6-9(13)11-7/h2-6H2,1H3,(H,10,11,12,13)
InChIKeyPSKPIGDIOJVNOI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.01
Rot. Bonds4

About 2-pentyl-1H-pyrimidine-4,6-dione

2-pentyl-1H-pyrimidine-4,6-dione (PubChem CID 70582140) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-pentyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-pentyl-1H-pyrimidine-4,6-dione
PubChem CID70582140
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-pentyl-1H-pyrimidine-4,6-dione
SMILESCCCCCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C9H14N2O2/c1-2-3-4-5-7-10-8(12)6-9(13)11-7/h2-6H2,1H3,(H,10,11,12,13)
InChIKeyPSKPIGDIOJVNOI-UHFFFAOYSA-N
XLogP1.01
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-pentyl-1H-pyrimidine-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-4,6-pyrimidinedione
CID 580924
2-(2-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550492
2-Butyl-5,5-dimethyl-1,4-dihydropyrimidin-6-one
CID 21750207
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-diethyl-1H-pyrimidine-4,6-dione
CID 58730533
2-tert-butyl-1H-pyrimidine-4,6-dione
CID 58907282
2-pentyl-4,5-dihydro-1H-pyrimidin-6-one
CID 67704551
2-propyl-1H-pyrimidine-4,6-dione
CID 134558394
ethane;2-methyl-1H-pyrimidine-4,6-dione
CID 144474077
ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine
CID 161456762
2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione
CID 74447507
5-butyl-2-methyl-1H-pyrimidine-4,6-dione
CID 78344382

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-pentyl-1H-pyrimidine-4,6-dione (CID 70582140) is 2-pentyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-pentyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-pentyl-1H-pyrimidine-4,6-dione is CCCCCC1=NC(=O)CC(=O)N1.
What is the InChIKey of 2-pentyl-1H-pyrimidine-4,6-dione?
The InChIKey is PSKPIGDIOJVNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-5-7-10-8(12)6-9(13)11-7/h2-6H2,1H3,(H,10,11,12,13).
What are the key properties of 2-pentyl-1H-pyrimidine-4,6-dione?
2-pentyl-1H-pyrimidine-4,6-dione has a molecular weight of 182.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 70582140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).