2,4-dibutyl-1H-pyrimidin-6-one

C12H20N2O — CID 135827995

IUPAC2,4-dibutyl-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(CCCC)n1
InChIInChI=1S/C12H20N2O/c1-3-5-7-10-9-12(15)14-11(13-10)8-6-4-2/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyAFHKPSRPVAXKTD-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.46
Rot. Bonds6

About 2,4-dibutyl-1H-pyrimidin-6-one

2,4-dibutyl-1H-pyrimidin-6-one (PubChem CID 135827995) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,4-dibutyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dibutyl-1H-pyrimidin-6-one
PubChem CID135827995
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2,4-dibutyl-1H-pyrimidin-6-one
SMILESCCCCc1cc(=O)[nH]c(CCCC)n1
InChIInChI=1S/C12H20N2O/c1-3-5-7-10-9-12(15)14-11(13-10)8-6-4-2/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyAFHKPSRPVAXKTD-UHFFFAOYSA-N
XLogP2.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Di-tert-butyl-3,4-dihydropyrimidin-4-one
CID 135479012
5-Allyl-2,6-dimethyl-4-pyrimidinol
CID 135447922
6-methyl-2-propylpyrimidin-4(3H)-one
CID 135516607
2-(2-Aminobutan-2-yl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 136103393
2-(2-aminopropan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136103406
Aspergillusine A
CID 146684492
2,6-di(propan-2-yl)pyrimidin-4(3H)-one
CID 135631190
2-Methyl-6-(propan-2-yl)pyrimidin-4(1H)-one
CID 135702358
2-Butyl-6-methyl-4-pyrimidinol
CID 135424377
2,6-Dipropyl-3,4-dihydropyrimidin-4-one
CID 135966776
4-ethyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288750
6-Ethyl-2-methylpyrimidin-4(1H)-one
CID 135591007

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dibutyl-1H-pyrimidin-6-one (CID 135827995) is 2,4-dibutyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dibutyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dibutyl-1H-pyrimidin-6-one is CCCCc1cc(=O)[nH]c(CCCC)n1.
What is the InChIKey of 2,4-dibutyl-1H-pyrimidin-6-one?
The InChIKey is AFHKPSRPVAXKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-7-10-9-12(15)14-11(13-10)8-6-4-2/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2,4-dibutyl-1H-pyrimidin-6-one?
2,4-dibutyl-1H-pyrimidin-6-one has a molecular weight of 208.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135827995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).