2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one

C9H15N3O — CID 135973672

IUPAC2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C9H15N3O/c1-6(2)7-5-8(13)11-9(10-7)12(3)4/h5-6H,1-4H3,(H,10,11,13)
InChIKeyLNRQIEJKAOJNFM-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.96
Rot. Bonds2

About 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one

2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135973672) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135973672
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N(C)C)n1
InChIInChI=1S/C9H15N3O/c1-6(2)7-5-8(13)11-9(10-7)12(3)4/h5-6H,1-4H3,(H,10,11,13)
InChIKeyLNRQIEJKAOJNFM-UHFFFAOYSA-N
XLogP0.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
CID 135973670
2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)acetamide
CID 135973607
N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766
4,6-di(propan-2-yl)-1H-pyrimidin-2-one
CID 59336135
4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877703
(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
CID 135553588
(2S)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]propanoic acid
CID 135557037
2-(4-fluoroanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136740970
2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136848975
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
2-(4-anilinoanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136778987
2-(3,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779728

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one (CID 135973672) is 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(N(C)C)n1.
What is the InChIKey of 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is LNRQIEJKAOJNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)7-5-8(13)11-9(10-7)12(3)4/h5-6H,1-4H3,(H,10,11,13).
What are the key properties of 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).