ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one

C7H14N2O — CID 91191437

IUPACethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC.CC1=NCCC(=O)N1
InChIInChI=1S/C5H8N2O.C2H6/c1-4-6-3-2-5(8)7-4;1-2/h2-3H2,1H3,(H,6,7,8);1-2H3
InChIKeyLEDMEXCXCZVPLJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.95
Rot. Bonds

About ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one

ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 91191437) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID91191437
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Nameethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC.CC1=NCCC(=O)N1
InChIInChI=1S/C5H8N2O.C2H6/c1-4-6-3-2-5(8)7-4;1-2/h2-3H2,1H3,(H,6,7,8);1-2H3
InChIKeyLEDMEXCXCZVPLJ-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4,6-pyrimidinedione
CID 580924
2-Methyl-1,4-dihydropyrimidine-5,6-dione
CID 21139506
2-(trifluoromethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 25210504
5-fluoro-2-methyl-1H-pyrimidine-4,6-dione
CID 77520036
2-(2-Aminoethyl)-5-fluoro-1,4,5,6-tetrahydropyrimidine-4,6-dione
CID 80550490
5-fluoro-2-[2-(methylamino)ethyl]-1H-pyrimidine-4,6-dione
CID 80550862
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
1,2-Dimethyl-4,5-dihydropyrimidin-6-one
CID 20707762
1-Ethyl-2-methyl-4,5-dihydropyrimidin-6-one
CID 21720732
3-(Ethylamino)-3-ethyliminopropanamide
CID 22056443
2-(1,4,5,6-Tetrahydropyrimidin-2-yl)acetamide
CID 22056455
2,4,5-trimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 22084610

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one (CID 91191437) is ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one is CC.CC1=NCCC(=O)N1.
What is the InChIKey of ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is LEDMEXCXCZVPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C2H6/c1-4-6-3-2-5(8)7-4;1-2/h2-3H2,1H3,(H,6,7,8);1-2H3.
What are the key properties of ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one?
ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 142.20 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 91191437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).