5-pentyl-1H-pyrimidin-6-one

C9H14N2O — CID 67435856

IUPAC5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1cnc[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-2-3-4-5-8-6-10-7-11-9(8)12/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyNLWPCRLNKILJMW-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.50
Rot. Bonds4

About 5-pentyl-1H-pyrimidin-6-one

5-pentyl-1H-pyrimidin-6-one (PubChem CID 67435856) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-pentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-pentyl-1H-pyrimidin-6-one
PubChem CID67435856
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1cnc[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-2-3-4-5-8-6-10-7-11-9(8)12/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyNLWPCRLNKILJMW-UHFFFAOYSA-N
XLogP1.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.50
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

5-propyl-1H-pyrimidin-6-one
CID 45080420
5-(ethoxymethyl)-1H-pyrimidin-6-one
CID 119094005
5-hexyl-1H-imidazole
CID 14225142
4-hexyl-5-hydroxy-1H-pyrimidin-6-one
CID 148952934
3-nonyl-1H-pyridin-2-one
CID 91411158
4,5-dipentyl-1H-pyridazin-6-one
CID 174602267
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485
5-pentyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 13330680
3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
3,4,5-tributylpyridine
CID 173010708
5-pentylsulfanyl-1H-imidazole
CID 19921749
N,N-dipentyl-1H-imidazole-5-carboxamide
CID 25129631

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-1H-pyrimidin-6-one?
The IUPAC name of 5-pentyl-1H-pyrimidin-6-one (CID 67435856) is 5-pentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-pentyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-pentyl-1H-pyrimidin-6-one is CCCCCc1cnc[nH]c1=O.
What is the InChIKey of 5-pentyl-1H-pyrimidin-6-one?
The InChIKey is NLWPCRLNKILJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-4-5-8-6-10-7-11-9(8)12/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 5-pentyl-1H-pyrimidin-6-one?
5-pentyl-1H-pyrimidin-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 67435856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).