2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one

C12H21N3O — CID 136996763

IUPAC2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1cc(=O)[nH]c(CCN(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)7-10-8-12(16)14-11(13-10)5-6-15(3)4/h8-9H,5-7H2,1-4H3,(H,13,14,16)
InChIKeyOFDCIAZPPNQGAL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.07
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one

2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136996763) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136996763
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1cc(=O)[nH]c(CCN(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)7-10-8-12(16)14-11(13-10)5-6-15(3)4/h8-9H,5-7H2,1-4H3,(H,13,14,16)
InChIKeyOFDCIAZPPNQGAL-UHFFFAOYSA-N
XLogP1.07
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Aminobutan-2-yl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 136103393
Aspergillusine A
CID 146684492
2,6-di(propan-2-yl)pyrimidin-4(3H)-one
CID 135631190
2,6-Dipropyl-3,4-dihydropyrimidin-4-one
CID 135966776
6-(2-Aminoethyl)-2-cyclopropylpyrimidin-4-ol dihydrochloride
CID 165941169
2-(2-aminobutan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 135962923
2-(2-Aminobutan-2-yl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136186627
6-(2-Aminoethyl)-2-cyclopropylpyrimidin-4-ol
CID 136034529
4-(2-methylpropyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136298745
4-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136298871
2-(2-methoxyethyl)-6-(1-methylpiperidin-4-yl)pyrimidin-4(3H)-one
CID 135860412
2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136996763) is 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one is CC(C)Cc1cc(=O)[nH]c(CCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is OFDCIAZPPNQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)7-10-8-12(16)14-11(13-10)5-6-15(3)4/h8-9H,5-7H2,1-4H3,(H,13,14,16).
What are the key properties of 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one?
2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-4-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136996763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).