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

C8H10N4O — CID 96629646

IUPAC7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNCCN1C(=O)Cc2cncnc21
InChIInChI=1S/C8H10N4O/c9-1-2-12-7(13)3-6-4-10-5-11-8(6)12/h4-5H,1-3,9H2
InChIKeyNSVSJSWYJKNAIC-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.68
Rot. Bonds2

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

7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 96629646) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID96629646
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESNCCN1C(=O)Cc2cncnc21
InChIInChI=1S/C8H10N4O/c9-1-2-12-7(13)3-6-4-10-5-11-8(6)12/h4-5H,1-3,9H2
InChIKeyNSVSJSWYJKNAIC-UHFFFAOYSA-N
XLogP-0.68
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 20613650
1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 154506718
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 141035153
1-(2-aminoethyl)-7-bromo-3H-indol-2-one
CID 83760729
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
2-[4-(5-bromopyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66342072
1-(2-aminoethyl)-3-methylidenepyrrolidine-2,5-dione;ethane
CID 142439649
4-(2-aminoethyl)thiomorpholine-3,5-dione
CID 104570964
(4-morpholin-4-ylpyrimidin-5-yl)methanamine
CID 68698921
3-(4-morpholin-4-ylpyrimidin-5-yl)propan-1-amine
CID 83890770
2-purin-9-ylethanamine
CID 86106662
1-benzyl-3-(2,6-dichloro-3,5-dihydroxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 166958319

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 96629646) is 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is NCCN1C(=O)Cc2cncnc21.
What is the InChIKey of 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is NSVSJSWYJKNAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-1-2-12-7(13)3-6-4-10-5-11-8(6)12/h4-5H,1-3,9H2.
What are the key properties of 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 178.19 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 96629646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).