5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one

C17H31N3O — CID 135698525

IUPAC5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N(CCCC)CCCC)[nH]c1=O
InChIInChI=1S/C17H31N3O/c1-5-8-11-15-14(4)18-17(19-16(15)21)20(12-9-6-2)13-10-7-3/h5-13H2,1-4H3,(H,18,19,21)
InChIKeyBHQVEMQSCLIDIH-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.83
Rot. Bonds10

About 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one

5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135698525) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135698525
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(N(CCCC)CCCC)[nH]c1=O
InChIInChI=1S/C17H31N3O/c1-5-8-11-15-14(4)18-17(19-16(15)21)20(12-9-6-2)13-10-7-3/h5-13H2,1-4H3,(H,18,19,21)
InChIKeyBHQVEMQSCLIDIH-UHFFFAOYSA-N
XLogP3.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135698491
2-(dimethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135736976
2-(diethylamino)-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135698526
6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
CID 3035346
5-butyl-2-(4-ethylpiperazin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 135491325
2-chloro-6-(dibutylamino)-1H-1,3,5-triazine-4-thione
CID 102269688
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710
2-(4-butylanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612055
2-aminoethanol;6-(dibutylamino)-1H-1,3,5-triazine-2,4-dithione
CID 19805210
N-butyl-2-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-methylacetamide
CID 3149868
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-hexyl-4-methyl-1H-pyrimidin-6-one
CID 136689559
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dipropylpropanamide
CID 137309553

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one (CID 135698525) is 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(N(CCCC)CCCC)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BHQVEMQSCLIDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-8-11-15-14(4)18-17(19-16(15)21)20(12-9-6-2)13-10-7-3/h5-13H2,1-4H3,(H,18,19,21).
What are the key properties of 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 293.45 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(dibutylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135698525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).