1-(5-tert-butylpyrimidin-2-yl)propan-2-one

C11H16N2O — CID 165372273

IUPAC1-(5-tert-butylpyrimidin-2-yl)propan-2-one
SMILESCC(=O)Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H16N2O/c1-8(14)5-10-12-6-9(7-13-10)11(2,3)4/h6-7H,5H2,1-4H3
InChIKeyPPWUWRBEFBBFEL-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.91
Rot. Bonds2

About 1-(5-tert-butylpyrimidin-2-yl)propan-2-one

1-(5-tert-butylpyrimidin-2-yl)propan-2-one (PubChem CID 165372273) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(5-tert-butylpyrimidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-tert-butylpyrimidin-2-yl)propan-2-one
PubChem CID165372273
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(5-tert-butylpyrimidin-2-yl)propan-2-one
SMILESCC(=O)Cc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C11H16N2O/c1-8(14)5-10-12-6-9(7-13-10)11(2,3)4/h6-7H,5H2,1-4H3
InChIKeyPPWUWRBEFBBFEL-UHFFFAOYSA-N
XLogP1.91
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide
CID 88917931
1-(5-nitropyrimidin-2-yl)propan-2-one
CID 63198896
tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate
CID 158312232
1-(4-tert-butyl-2-pyridinyl)propan-2-one
CID 91432972
tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
2-(5-tert-butylpyrimidin-2-yl)ethanamine
CID 55263070
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 121231620
1-(5-tert-butylpyrimidin-2-yl)-4,4-dimethylpentane-1,3-dione
CID 123191421
1-(2-tert-butyl-5-fluoropyrimidin-4-yl)propan-2-one
CID 167657259
5-tert-butyl-2-(ethoxymethyl)pyrimidine
CID 165371921
(2,5-ditert-butyl-3-pyridinyl)methanol
CID 153429822
1-(2-tert-butyl-1-methylimidazol-4-yl)propan-2-one
CID 155787967

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylpyrimidin-2-yl)propan-2-one?
The IUPAC name of 1-(5-tert-butylpyrimidin-2-yl)propan-2-one (CID 165372273) is 1-(5-tert-butylpyrimidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-tert-butylpyrimidin-2-yl)propan-2-one?
The canonical SMILES for 1-(5-tert-butylpyrimidin-2-yl)propan-2-one is CC(=O)Cc1ncc(C(C)(C)C)cn1.
What is the InChIKey of 1-(5-tert-butylpyrimidin-2-yl)propan-2-one?
The InChIKey is PPWUWRBEFBBFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(14)5-10-12-6-9(7-13-10)11(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-(5-tert-butylpyrimidin-2-yl)propan-2-one?
1-(5-tert-butylpyrimidin-2-yl)propan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylpyrimidin-2-yl)propan-2-one is sourced from PubChem (CID 165372273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).