2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C8H10N4O — CID 82410094

IUPAC2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESNCCc1ncc2c(n1)NC(=O)C2
InChIInChI=1S/C8H10N4O/c9-2-1-6-10-4-5-3-7(13)12-8(5)11-6/h4H,1-3,9H2,(H,10,11,12,13)
InChIKeyCLYVRJCWONXXRY-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.53
Rot. Bonds2

About 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 82410094) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID82410094
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESNCCc1ncc2c(n1)NC(=O)C2
InChIInChI=1S/C8H10N4O/c9-2-1-6-10-4-5-3-7(13)12-8(5)11-6/h4H,1-3,9H2,(H,10,11,12,13)
InChIKeyCLYVRJCWONXXRY-UHFFFAOYSA-N
XLogP-0.53
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 82410094) is 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is NCCc1ncc2c(n1)NC(=O)C2.
What is the InChIKey of 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is CLYVRJCWONXXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-2-1-6-10-4-5-3-7(13)12-8(5)11-6/h4H,1-3,9H2,(H,10,11,12,13).
What are the key properties of 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 178.19 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 82410094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).