ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C10H16N2O — CID 177013696

IUPACethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC.CC1CCc2nccc(=O)n21
InChIInChI=1S/C8H10N2O.C2H6/c1-6-2-3-7-9-5-4-8(11)10(6)7;1-2/h4-6H,2-3H2,1H3;1-2H3
InChIKeyOYXFUSUUAZHGTO-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.78
Rot. Bonds

About ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 177013696) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID177013696
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC.CC1CCc2nccc(=O)n21
InChIInChI=1S/C8H10N2O.C2H6/c1-6-2-3-7-9-5-4-8(11)10(6)7;1-2/h4-6H,2-3H2,1H3;1-2H3
InChIKeyOYXFUSUUAZHGTO-UHFFFAOYSA-N
XLogP1.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
6-Methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 10725517
7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 15263479
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 20438513
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 20438531
2,3-Di(propan-2-yl)pyrimidin-4-one
CID 23401236
CID 58125066
CID 58125066
6-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58125140
(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58681908
Ethane;2-ethyl-3-methylpyrimidin-4-one
CID 91580005
(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 93500089
(6S)-6-acetyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 117971401

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 177013696) is ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CC.CC1CCc2nccc(=O)n21.
What is the InChIKey of ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is OYXFUSUUAZHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6/c1-6-2-3-7-9-5-4-8(11)10(6)7;1-2/h4-6H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 177013696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).