5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol

C17H24N6O2 — CID 146113312

IUPAC5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cncc(O)c2)ncn1
InChIInChI=1S/C17H24N6O2/c1-22(2)9-13-4-15(25)10-23(13)17-5-16(20-11-21-17)19-7-12-3-14(24)8-18-6-12/h3,5-6,8,11,13,15,24-25H,4,7,9-10H2,1-2H3,(H,19,20,21)/t13-,15-/m1/s1
InChIKeyRTURAUQGDARUHT-UKRRQHHQSA-N
MW344.42 g/mol
LogP0.69
Rot. Bonds6

About 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol

5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol (PubChem CID 146113312) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol
PubChem CID146113312
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol
SMILESCN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cncc(O)c2)ncn1
InChIInChI=1S/C17H24N6O2/c1-22(2)9-13-4-15(25)10-23(13)17-5-16(20-11-21-17)19-7-12-3-14(24)8-18-6-12/h3,5-6,8,11,13,15,24-25H,4,7,9-10H2,1-2H3,(H,19,20,21)/t13-,15-/m1/s1
InChIKeyRTURAUQGDARUHT-UKRRQHHQSA-N
XLogP0.69
TPSA97.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-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 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol?
The IUPAC name of 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol (CID 146113312) is 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol is CN(C)C[C@H]1C[C@@H](O)CN1c1cc(NCc2cncc(O)c2)ncn1.
What is the InChIKey of 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol?
The InChIKey is RTURAUQGDARUHT-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-22(2)9-13-4-15(25)10-23(13)17-5-16(20-11-21-17)19-7-12-3-14(24)8-18-6-12/h3,5-6,8,11,13,15,24-25H,4,7,9-10H2,1-2H3,(H,19,20,21)/t13-,15-/m1/s1.
What are the key properties of 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol?
5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol has a molecular weight of 344.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[6-[(2R,4R)-2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 146113312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).