1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one

C11H17N3O — CID 83883306

IUPAC1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one
SMILESCCc1nc(CC(C)=O)cc(N(C)C)n1
InChIInChI=1S/C11H17N3O/c1-5-10-12-9(6-8(2)15)7-11(13-10)14(3)4/h7H,5-6H2,1-4H3
InChIKeyJUSDNOCMSVJKEG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.24
Rot. Bonds4

About 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one

1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one (PubChem CID 83883306) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one
PubChem CID83883306
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one
SMILESCCc1nc(CC(C)=O)cc(N(C)C)n1
InChIInChI=1S/C11H17N3O/c1-5-10-12-9(6-8(2)15)7-11(13-10)14(3)4/h7H,5-6H2,1-4H3
InChIKeyJUSDNOCMSVJKEG-UHFFFAOYSA-N
XLogP1.24
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one?
The IUPAC name of 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one (CID 83883306) is 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one?
The canonical SMILES for 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one is CCc1nc(CC(C)=O)cc(N(C)C)n1.
What is the InChIKey of 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one?
The InChIKey is JUSDNOCMSVJKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-5-10-12-9(6-8(2)15)7-11(13-10)14(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one?
1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylamino)-2-ethylpyrimidin-4-yl]propan-2-one is sourced from PubChem (CID 83883306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).