(1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol

C20H24N6O2S — CID 58570841

IUPAC(1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol
SMILESCc1nc(NC2CC2)nc(N[C@@H]2CC[C@@H](O)[C@@]2(C)O)c1-c1nc2cnccc2s1
InChIInChI=1S/C20H24N6O2S/c1-10-16(18-24-12-9-21-8-7-13(12)29-18)17(26-19(22-10)23-11-3-4-11)25-14-5-6-15(27)20(14,2)28/h7-9,11,14-15,27-28H,3-6H2,1-2H3,(H2,22,23,25,26)/t14-,15-,20+/m1/s1
InChIKeyBWNDZSNDPHMFPH-SXGZJXTBSA-N
MW412.52 g/mol
LogP2.72
Rot. Bonds5

About (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol

(1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol (PubChem CID 58570841) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol
PubChem CID58570841
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name(1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol
SMILESCc1nc(NC2CC2)nc(N[C@@H]2CC[C@@H](O)[C@@]2(C)O)c1-c1nc2cnccc2s1
InChIInChI=1S/C20H24N6O2S/c1-10-16(18-24-12-9-21-8-7-13(12)29-18)17(26-19(22-10)23-11-3-4-11)25-14-5-6-15(27)20(14,2)28/h7-9,11,14-15,27-28H,3-6H2,1-2H3,(H2,22,23,25,26)/t14-,15-,20+/m1/s1
InChIKeyBWNDZSNDPHMFPH-SXGZJXTBSA-N
XLogP2.72
TPSA116.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

(1R,2S,3R,5R)-3-[[2-[(2,6-difluorophenyl)methylamino]-6-methyl-5-thiazolo[4,5-c]pyridin-2-yl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570762
(1R,2S,3R,5R)-3-[[2-[(2,6-dimethyl-4-pyridinyl)amino]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 73442898
(1R,2S,3R,5R)-3-[[5-(1,3-benzothiazol-2-yl)-2-[(2,6-dimethyl-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 73670011
(1r,2s,3r,5r)-3-{[5-(1,3-Benzothiazol-2-Yl)-2-(Propylamino)pyrimidin-4-Yl]amino}-5-(Hydroxymethyl)cyclopentane-1,2-Diol
CID 91844450
(1R,2S,5R)-3-[[5-(1,3-benzothiazol-2-yl)-2-[(2,6-dimethyl-4-pyridinyl)amino]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol;hydrochloride
CID 118719439
(1R,2S,3R,5R)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175482
(1R,2S,3R,5R)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)-6-methyl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175578
(1R,2S,3R,5R)-3-[[5-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)-6-methyl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46175848
(1R,2S,3R,5R)-3-[[5-(1,3-benzothiazol-2-yl)-2-(cyclopropylmethylamino)-6-methyl-pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46176531
(1R,2S,3R,5S)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(1-hydroxy-1-methyl-ethyl)cyclopentane-1,2-diol
CID 53373656
(1S,2R,3S,5R)-3-(1-hydroxy-1-methyl-ethyl)-5-[[6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)-2-[(2,4,6-trifluorophenyl)methylamino]pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 53373871
(1R,2S,3R,5S)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methylthiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(1-ethyl-1-hydroxy-propyl)cyclopentane-1,2-diol
CID 53373873

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol (CID 58570841) is (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol is Cc1nc(NC2CC2)nc(N[C@@H]2CC[C@@H](O)[C@@]2(C)O)c1-c1nc2cnccc2s1.
What is the InChIKey of (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol?
The InChIKey is BWNDZSNDPHMFPH-SXGZJXTBSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-10-16(18-24-12-9-21-8-7-13(12)29-18)17(26-19(22-10)23-11-3-4-11)25-14-5-6-15(27)20(14,2)28/h7-9,11,14-15,27-28H,3-6H2,1-2H3,(H2,22,23,25,26)/t14-,15-,20+/m1/s1.
What are the key properties of (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol?
(1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol has a molecular weight of 412.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-5-[[2-(cyclopropylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-1-methylcyclopentane-1,2-diol is sourced from PubChem (CID 58570841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).