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

C9H15N3O — CID 135797587

IUPAC4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)9-10-7(12(3)4)5-8(13)11-9/h5-6H,1-4H3,(H,10,11,13)
InChIKeyDIXUHCZBMJUQPU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.96
Rot. Bonds2

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

4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135797587) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135797587
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)C)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-6(2)9-10-7(12(3)4)5-8(13)11-9/h5-6H,1-4H3,(H,10,11,13)
InChIKeyDIXUHCZBMJUQPU-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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 135797587) is 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is DIXUHCZBMJUQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)9-10-7(12(3)4)5-8(13)11-9/h5-6H,1-4H3,(H,10,11,13).
What are the key properties of 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(dimethylamino)-2-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 4-(dimethylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135797587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).