ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone

C9H18N2O — CID 142044285

IUPACethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCCN=C1C
InChIInChI=1S/C7H12N2O.C2H6/c1-6-8-4-3-5-9(6)7(2)10;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyDMBANVMDOGVZDG-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.68
Rot. Bonds

About ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone

ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone (PubChem CID 142044285) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
PubChem CID142044285
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
SMILESCC.CC(=O)N1CCCN=C1C
InChIInChI=1S/C7H12N2O.C2H6/c1-6-8-4-3-5-9(6)7(2)10;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyDMBANVMDOGVZDG-UHFFFAOYSA-N
XLogP1.68
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepin-5-ium-1-yl)ethanone
CID 135042300
1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 12384565
1-(5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 14109947
1-(2-tert-butyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 20628308
3-(dimethylamino)-N-methyl-3-methylimino-N-propan-2-ylpropanamide
CID 20672147
1,2-Dimethyl-4,5-dihydropyrimidin-6-one
CID 20707762
1-Methyl-2-propyl-4,5-dihydropyrimidin-6-one
CID 20707765
N-methyl-N-[2-(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)ethyl]acetamide
CID 20748353
2,3-Dimethyl-4,5-dihydropyrimidin-6-one
CID 21341299
1-Ethyl-2-methyl-4,5-dihydropyrimidin-6-one
CID 21720732
1,2-Dimethylpyrimidine-4,6-dione
CID 54491245
N-methyl-N-[(1,1,4,5-tetramethyl-4,5-dihydroimidazol-1-ium-2-yl)methyl]acetamide
CID 58658350

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The IUPAC name of ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone (CID 142044285) is ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The canonical SMILES for ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone is CC.CC(=O)N1CCCN=C1C.
What is the InChIKey of ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
The InChIKey is DMBANVMDOGVZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C2H6/c1-6-8-4-3-5-9(6)7(2)10;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone?
ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone has a molecular weight of 170.26 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 ethane;1-(2-methyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone is sourced from PubChem (CID 142044285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).