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

C13H26N2O — CID 177012897

IUPAC7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
SMILESCC.CC.CC.O=c1ccnc2n1CCC2
InChIInChI=1S/C7H8N2O.3C2H6/c10-7-3-4-8-6-2-1-5-9(6)7;3*1-2/h3-4H,1-2,5H2;3*1-2H3
InChIKeyDLHMVBCTNYQWTE-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.27
Rot. Bonds

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

7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane (PubChem CID 177012897) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
PubChem CID177012897
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
SMILESCC.CC.CC.O=c1ccnc2n1CCC2
InChIInChI=1S/C7H8N2O.3C2H6/c10-7-3-4-8-6-2-1-5-9(6)7;3*1-2/h3-4H,1-2,5H2;3*1-2H3
InChIKeyDLHMVBCTNYQWTE-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
2-Methyl-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidin-4-one
CID 1571397
3-Ethyl-2-methylpyrimidin-4-one
CID 295916
3-methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 641889
2-(1,1-Dimethylethyl)-3-methyl-4(3H)-pyrimidinone
CID 15744747
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
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
2-Ethyl-3-methylpyrimidin-4-one
CID 59416429
1,2-Diethylpyrimidin-4-one
CID 69842770

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane?
The IUPAC name of 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane (CID 177012897) is 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane.
What is the SMILES notation for 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane?
The canonical SMILES for 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane is CC.CC.CC.O=c1ccnc2n1CCC2.
What is the InChIKey of 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane?
The InChIKey is DLHMVBCTNYQWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.3C2H6/c10-7-3-4-8-6-2-1-5-9(6)7;3*1-2/h3-4H,1-2,5H2;3*1-2H3.
What are the key properties of 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane?
7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane has a molecular weight of 226.36 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane is sourced from PubChem (CID 177012897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).