(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol

C17H19N5O — CID 57230556

IUPAC(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H19N5O/c18-16-15-14(11-4-2-1-3-5-11)9-22(17(15)21-10-20-16)8-12-6-13(23)7-19-12/h1-5,9-10,12-13,19,23H,6-8H2,(H2,18,20,21)/t12-,13-/m1/s1
InChIKeyYTNFXVOKRVLJJU-CHWSQXEVSA-N
MW309.37 g/mol
LogP1.40
Rot. Bonds3

About (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol

(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol (PubChem CID 57230556) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
PubChem CID57230556
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C[C@H]1C[C@@H](O)CN1
InChIInChI=1S/C17H19N5O/c18-16-15-14(11-4-2-1-3-5-11)9-22(17(15)21-10-20-16)8-12-6-13(23)7-19-12/h1-5,9-10,12-13,19,23H,6-8H2,(H2,18,20,21)/t12-,13-/m1/s1
InChIKeyYTNFXVOKRVLJJU-CHWSQXEVSA-N
XLogP1.40
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

5-(4-phenoxyphenyl)-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 90001762
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
(2R)-2-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-2-phenylethanol
CID 44565856
5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 54420151
ethyl 3-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)piperidine-2-carboxylate;dihydrochloride
CID 70277982
(2R,3R,4R,5R)-5-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 86573713
7-butyl-5-quinolin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 150330837
5-iodo-7-(pyrrolidin-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 154465619
(2R,3R,5S)-5-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-4,4-difluoro-2-(hydroxymethyl)oxolan-3-ol
CID 71615265
2-[4-amino-5-(furan-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
CID 156877075

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol (CID 57230556) is (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol is Nc1ncnc2c1c(-c1ccccc1)cn2C[C@H]1C[C@@H](O)CN1.
What is the InChIKey of (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol?
The InChIKey is YTNFXVOKRVLJJU-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H19N5O/c18-16-15-14(11-4-2-1-3-5-11)9-22(17(15)21-10-20-16)8-12-6-13(23)7-19-12/h1-5,9-10,12-13,19,23H,6-8H2,(H2,18,20,21)/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol?
(3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol has a molecular weight of 309.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 57230556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).