3-pyrimidin-2-ylbutan-2-one

C8H10N2O — CID 63197013

IUPAC3-pyrimidin-2-ylbutan-2-one
SMILESCC(=O)C(C)c1ncccn1
InChIInChI=1S/C8H10N2O/c1-6(7(2)11)8-9-4-3-5-10-8/h3-6H,1-2H3
InChIKeyZDPDQEZUASKBSF-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.17
Rot. Bonds2

About 3-pyrimidin-2-ylbutan-2-one

3-pyrimidin-2-ylbutan-2-one (PubChem CID 63197013) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-pyrimidin-2-ylbutan-2-one.

Molecular Properties

Compound Name3-pyrimidin-2-ylbutan-2-one
PubChem CID63197013
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-pyrimidin-2-ylbutan-2-one
SMILESCC(=O)C(C)c1ncccn1
InChIInChI=1S/C8H10N2O/c1-6(7(2)11)8-9-4-3-5-10-8/h3-6H,1-2H3
InChIKeyZDPDQEZUASKBSF-UHFFFAOYSA-N
XLogP1.17
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-pyridinyl)butan-2-one
CID 63196359
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
3-(1H-imidazo[4,5-b]pyridin-2-yl)butan-2-one
CID 83857685
fluoromethane;2-propan-2-ylpyrimidine
CID 161216719
2-(3-methylbutan-2-yl)pyrimidine
CID 139342310
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
3-hydroxy-4-pyrimidin-2-ylbutan-2-one
CID 137472987
2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130985791
(1R,2R)-2-amino-1-pyrimidin-2-ylpropan-1-ol
CID 130900174
(2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate
CID 175600626
2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 83857547
(3S,4R)-4-hydroxy-3-methyl-4-pyridin-2-ylbutan-2-one
CID 130697576

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-2-ylbutan-2-one?
The IUPAC name of 3-pyrimidin-2-ylbutan-2-one (CID 63197013) is 3-pyrimidin-2-ylbutan-2-one.
What is the SMILES notation for 3-pyrimidin-2-ylbutan-2-one?
The canonical SMILES for 3-pyrimidin-2-ylbutan-2-one is CC(=O)C(C)c1ncccn1.
What is the InChIKey of 3-pyrimidin-2-ylbutan-2-one?
The InChIKey is ZDPDQEZUASKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-6(7(2)11)8-9-4-3-5-10-8/h3-6H,1-2H3.
What are the key properties of 3-pyrimidin-2-ylbutan-2-one?
3-pyrimidin-2-ylbutan-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-ylbutan-2-one is sourced from PubChem (CID 63197013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).