1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone

C10H18N2O — CID 20628308

IUPAC1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
SMILESCC(=O)N1CCCN=C1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-8(13)12-7-5-6-11-9(12)10(2,3)4/h5-7H2,1-4H3
InChIKeyPXZKJXVVRWQLFG-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.68
Rot. Bonds

About 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone

1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone (PubChem CID 20628308) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
PubChem CID20628308
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
SMILESCC(=O)N1CCCN=C1C(C)(C)C
InChIInChI=1S/C10H18N2O/c1-8(13)12-7-5-6-11-9(12)10(2,3)4/h5-7H2,1-4H3
InChIKeyPXZKJXVVRWQLFG-UHFFFAOYSA-N
XLogP1.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 12384565
1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)-3-methylbutan-1-one
CID 20628502
1-Methyl-2-propyl-4,5-dihydropyrimidin-6-one
CID 20707765
N-ethyl-2,2-dimethyl-N-(methyliminomethyl)propanamide
CID 58153409
2-tert-butyl-1-methyl-4H-imidazol-5-one
CID 59021731
N-methyl-N-[N-(2-methylpropyl)-C-propylcarbonimidoyl]acetamide
CID 89662142
1-(2-Tert-butyl-4,5-dihydroimidazol-1-yl)ethanone
CID 118406272
ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 142044285
N,2-dimethyl-N-(N-methyl-C-propan-2-ylcarbonimidoyl)propanamide
CID 144582294
ethane;N-(C-ethyl-N-methylcarbonimidoyl)-N-methylacetamide
CID 144775148
1,2-Dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane
CID 159215226
N-(N-methyl-C-propan-2-ylcarbonimidoyl)-N-propan-2-ylacetamide
CID 166897461

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The IUPAC name of 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone (CID 20628308) is 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone is CC(=O)N1CCCN=C1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The InChIKey is PXZKJXVVRWQLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(13)12-7-5-6-11-9(12)10(2,3)4/h5-7H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone has a molecular weight of 182.27 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone is sourced from PubChem (CID 20628308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).