3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol

C22H26N6O3S — CID 123478136

IUPAC3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol
SMILESCc1nc(NC2CC2)nc(NC2CC3C(CO)C3(O)C2O)c1-c1nc2c(C)nccc2s1
InChIInChI=1S/C22H26N6O3S/c1-9-16(20-27-17-10(2)23-6-5-15(17)32-20)19(28-21(24-9)25-11-3-4-11)26-14-7-12-13(8-29)22(12,31)18(14)30/h5-6,11-14,18,29-31H,3-4,7-8H2,1-2H3,(H2,24,25,26,28)
InChIKeyRZQPMKOWHXEBTM-UHFFFAOYSA-N
MW454.56 g/mol
LogP1.85
Rot. Bonds6

About 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol

3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol (PubChem CID 123478136) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol
PubChem CID123478136
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC Name3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol
SMILESCc1nc(NC2CC2)nc(NC2CC3C(CO)C3(O)C2O)c1-c1nc2c(C)nccc2s1
InChIInChI=1S/C22H26N6O3S/c1-9-16(20-27-17-10(2)23-6-5-15(17)32-20)19(28-21(24-9)25-11-3-4-11)26-14-7-12-13(8-29)22(12,31)18(14)30/h5-6,11-14,18,29-31H,3-4,7-8H2,1-2H3,(H2,24,25,26,28)
InChIKeyRZQPMKOWHXEBTM-UHFFFAOYSA-N
XLogP1.85
TPSA136.31 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 51.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol with MolForge

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Related Compounds

(1R,2S,5R)-3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(2-hydroxyethyl)cyclopentane-1,2-diol
CID 118400230
N-[2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-yl]methanesulfonamide
CID 90366419
methyl N-[2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-yl]carbamate
CID 90366422
(1R,2S,3R,5S)-3-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(4-fluoro-3-methylphenyl)sulfonylbicyclo[3.1.0]hexane-1,2-diol
CID 163535050
3-(hydroxymethyl)-1-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(oxan-3-ylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 123506925
(1S,2S,3R,5R)-3-[[6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]pyrimidin-4-yl]amino]bicyclo[3.1.0]hexane-1,2,6-triol
CID 163683887
(1S,2R,3S,5R)-3-(1-hydroxycyclopentyl)-5-[[2-[(1-hydroxycyclopentyl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 90366440
(1R,2S,3R,5R)-3-[[2-[[(1R)-1-cyclohexylethyl]amino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 90366242
1-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-3-(pyridin-4-ylsulfonylmethyl)cyclopentane-1,2-diol
CID 123274111
[3-[[2-(cyclopropylamino)-6-methyl-5-[4-(2-methylpropyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 91228631
(1R,2S,3R,5R)-3-[[2-[(2,2-dimethylcyclopropyl)methylamino]-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 90366251
(1R,2S,3R,5R)-3-[[2-amino-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 46176356

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol?
The IUPAC name of 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol (CID 123478136) is 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol.
What is the SMILES notation for 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol?
The canonical SMILES for 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol is Cc1nc(NC2CC2)nc(NC2CC3C(CO)C3(O)C2O)c1-c1nc2c(C)nccc2s1.
What is the InChIKey of 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol?
The InChIKey is RZQPMKOWHXEBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c1-9-16(20-27-17-10(2)23-6-5-15(17)32-20)19(28-21(24-9)25-11-3-4-11)26-14-7-12-13(8-29)22(12,31)18(14)30/h5-6,11-14,18,29-31H,3-4,7-8H2,1-2H3,(H2,24,25,26,28).
What are the key properties of 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol?
3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol has a molecular weight of 454.56 g/mol, XLogP of 1.85, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-6-(hydroxymethyl)bicyclo[3.1.0]hexane-1,2-diol is sourced from PubChem (CID 123478136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).