3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C9H13N3O — CID 115015402

IUPAC3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESNCCc1cnc2n(c1=O)CCC2
InChIInChI=1S/C9H13N3O/c10-4-3-7-6-11-8-2-1-5-12(8)9(7)13/h6H,1-5,10H2
InChIKeyNXHHUNQNPCBIOS-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.31
Rot. Bonds2

About 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 115015402) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID115015402
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESNCCc1cnc2n(c1=O)CCC2
InChIInChI=1S/C9H13N3O/c10-4-3-7-6-11-8-2-1-5-12(8)9(7)13/h6H,1-5,10H2
InChIKeyNXHHUNQNPCBIOS-UHFFFAOYSA-N
XLogP-0.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 641889
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 143940523
2-methyl-5-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 82652716
5-(2-Aminoethyl)-2,3-dimethylpyrimidin-4-one
CID 83873637
2-(1,2-Dimethyl-6-oxopyrimidin-5-yl)ethanimidamide
CID 83875415
2,3-Dimethyl-5-[2-(methylamino)ethyl]pyrimidin-4-one
CID 83875792
5-(1-Aminopropan-2-yl)-2,3-dimethylpyrimidin-4-one
CID 83875794
5-(2-Aminoethyl)-3-ethyl-2-methylpyrimidin-4-one
CID 83875796
5-(2-Aminoethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
CID 83878412
2-(1-Ethyl-2-methyl-6-oxopyrimidin-5-yl)ethanimidamide
CID 83878901

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 115015402) is 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is NCCc1cnc2n(c1=O)CCC2.
What is the InChIKey of 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is NXHHUNQNPCBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-3-7-6-11-8-2-1-5-12(8)9(7)13/h6H,1-5,10H2.
What are the key properties of 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115015402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).