2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C8H10N4O2 — CID 135528308

IUPAC2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(CCO)cc2c(=O)[nH]1
InChIInChI=1S/C8H10N4O2/c9-8-11-6-5(7(14)12-8)3-4(10-6)1-2-13/h3,13H,1-2H2,(H4,9,10,11,12,14)
InChIKeyMLTSGQSLERURNY-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.63
Rot. Bonds2

About 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135528308) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135528308
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2[nH]c(CCO)cc2c(=O)[nH]1
InChIInChI=1S/C8H10N4O2/c9-8-11-6-5(7(14)12-8)3-4(10-6)1-2-13/h3,13H,1-2H2,(H4,9,10,11,12,14)
InChIKeyMLTSGQSLERURNY-UHFFFAOYSA-N
XLogP-0.63
TPSA107.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135528308) is 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2[nH]c(CCO)cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is MLTSGQSLERURNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-8-11-6-5(7(14)12-8)3-4(10-6)1-2-13/h3,13H,1-2H2,(H4,9,10,11,12,14).
What are the key properties of 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 194.19 g/mol, XLogP of -0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135528308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).