(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol

C17H19N5O — CID 46939232

IUPAC(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol
SMILESNc1ncnc2c(CN3C[C@H](c4ccccc4)[C@@H](O)C3)c[nH]c12
InChIInChI=1S/C17H19N5O/c18-17-16-15(20-10-21-17)12(6-19-16)7-22-8-13(14(23)9-22)11-4-2-1-3-5-11/h1-6,10,13-14,19,23H,7-9H2,(H2,18,20,21)/t13-,14+/m1/s1
InChIKeyGSOJNQITDWICDY-KGLIPLIRSA-N
MW309.37 g/mol
LogP1.50
Rot. Bonds3

About (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol

(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol (PubChem CID 46939232) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol
PubChem CID46939232
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol
SMILESNc1ncnc2c(CN3C[C@H](c4ccccc4)[C@@H](O)C3)c[nH]c12
InChIInChI=1S/C17H19N5O/c18-17-16-15(20-10-21-17)12(6-19-16)7-22-8-13(14(23)9-22)11-4-2-1-3-5-11/h1-6,10,13-14,19,23H,7-9H2,(H2,18,20,21)/t13-,14+/m1/s1
InChIKeyGSOJNQITDWICDY-KGLIPLIRSA-N
XLogP1.50
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol (CID 46939232) is (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol is Nc1ncnc2c(CN3C[C@H](c4ccccc4)[C@@H](O)C3)c[nH]c12.
What is the InChIKey of (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol?
The InChIKey is GSOJNQITDWICDY-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H19N5O/c18-17-16-15(20-10-21-17)12(6-19-16)7-22-8-13(14(23)9-22)11-4-2-1-3-5-11/h1-6,10,13-14,19,23H,7-9H2,(H2,18,20,21)/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol?
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol has a molecular weight of 309.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-phenylpyrrolidin-3-ol is sourced from PubChem (CID 46939232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).