7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C9H12N4O2 — CID 135858821

IUPAC7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CNCCO)c[nH]c12
InChIInChI=1S/C9H12N4O2/c14-2-1-10-3-6-4-11-8-7(6)12-5-13-9(8)15/h4-5,10-11,14H,1-3H2,(H,12,13,15)
InChIKeyQDUZWIFNOWYPLN-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.67
Rot. Bonds4

About 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135858821) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135858821
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(CNCCO)c[nH]c12
InChIInChI=1S/C9H12N4O2/c14-2-1-10-3-6-4-11-8-7(6)12-5-13-9(8)15/h4-5,10-11,14H,1-3H2,(H,12,13,15)
InChIKeyQDUZWIFNOWYPLN-UHFFFAOYSA-N
XLogP-0.67
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135858821) is 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2c(CNCCO)c[nH]c12.
What is the InChIKey of 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is QDUZWIFNOWYPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-2-1-10-3-6-4-11-8-7(6)12-5-13-9(8)15/h4-5,10-11,14H,1-3H2,(H,12,13,15).
What are the key properties of 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 208.22 g/mol, XLogP of -0.67, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxyethylamino)methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).