[(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol

C22H26N6O — CID 143945530

IUPAC[(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol
SMILESC[C@@H]1[C@@H](CO)CC[C@]1(C)Nc1nc(N)nc(-c2ccccn2)c1-c1ccccn1
InChIInChI=1S/C22H26N6O/c1-14-15(13-29)9-10-22(14,2)28-20-18(16-7-3-5-11-24-16)19(26-21(23)27-20)17-8-4-6-12-25-17/h3-8,11-12,14-15,29H,9-10,13H2,1-2H3,(H3,23,26,27,28)/t14-,15-,22+/m1/s1
InChIKeySZOLDPBRLGBKPM-HLFMIMNKSA-N
MW390.49 g/mol
LogP3.39
Rot. Bonds5

About [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol

[(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol (PubChem CID 143945530) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol
PubChem CID143945530
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol
SMILESC[C@@H]1[C@@H](CO)CC[C@]1(C)Nc1nc(N)nc(-c2ccccn2)c1-c1ccccn1
InChIInChI=1S/C22H26N6O/c1-14-15(13-29)9-10-22(14,2)28-20-18(16-7-3-5-11-24-16)19(26-21(23)27-20)17-8-4-6-12-25-17/h3-8,11-12,14-15,29H,9-10,13H2,1-2H3,(H3,23,26,27,28)/t14-,15-,22+/m1/s1
InChIKeySZOLDPBRLGBKPM-HLFMIMNKSA-N
XLogP3.39
TPSA109.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol?
The IUPAC name of [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol (CID 143945530) is [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol?
The canonical SMILES for [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol is C[C@@H]1[C@@H](CO)CC[C@]1(C)Nc1nc(N)nc(-c2ccccn2)c1-c1ccccn1.
What is the InChIKey of [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol?
The InChIKey is SZOLDPBRLGBKPM-HLFMIMNKSA-N. The full InChI is InChI=1S/C22H26N6O/c1-14-15(13-29)9-10-22(14,2)28-20-18(16-7-3-5-11-24-16)19(26-21(23)27-20)17-8-4-6-12-25-17/h3-8,11-12,14-15,29H,9-10,13H2,1-2H3,(H3,23,26,27,28)/t14-,15-,22+/m1/s1.
What are the key properties of [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol?
[(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol has a molecular weight of 390.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-3-[(2-amino-5,6-dipyridin-2-ylpyrimidin-4-yl)amino]-2,3-dimethylcyclopentyl]methanol is sourced from PubChem (CID 143945530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).