2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol

C22H26N6O2S — CID 143946347

IUPAC2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)CCNc1nc(NCc2ccco2)nc(C)c1-c1nc2cnccc2s1
InChIInChI=1S/C22H26N6O2S/c1-3-15(13-29)6-9-24-20-19(21-27-17-12-23-8-7-18(17)31-21)14(2)26-22(28-20)25-11-16-5-4-10-30-16/h4-5,7-8,10,12,15,29H,3,6,9,11,13H2,1-2H3,(H2,24,25,26,28)
InChIKeyUFDHZSIBGOGZQY-UHFFFAOYSA-N
MW438.56 g/mol
LogP4.48
Rot. Bonds10

About 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol

2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 143946347) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID143946347
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)CCNc1nc(NCc2ccco2)nc(C)c1-c1nc2cnccc2s1
InChIInChI=1S/C22H26N6O2S/c1-3-15(13-29)6-9-24-20-19(21-27-17-12-23-8-7-18(17)31-21)14(2)26-22(28-20)25-11-16-5-4-10-30-16/h4-5,7-8,10,12,15,29H,3,6,9,11,13H2,1-2H3,(H2,24,25,26,28)
InChIKeyUFDHZSIBGOGZQY-UHFFFAOYSA-N
XLogP4.48
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-N-(cyclopropylmethyl)-6-methyl-4-N-(3-methylpentyl)-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidine-2,4-diamine
CID 143945395
4-[[5-(1,3-benzothiazol-2-yl)-6-chloro-2-(2-methoxyethylamino)pyrimidin-4-yl]amino]-2-ethylbutan-1-ol
CID 143945834
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[2-[2-(methoxymethyl)butylamino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 122527755
[3a-[[5-(1,3-benzothiazol-2-yl)-2-(furan-2-ylmethylamino)-6-methylpyrimidin-4-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]methanol
CID 90960250
3-(hydroxymethyl)-1-[[2-[(2-hydroxy-2-phenylethyl)amino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 91509786
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;hydrochloride
CID 70693120
[(1R)-3-methyl-4-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143946088
4-[[2-(azetidin-1-yl)-5-(1,3-benzothiazol-2-yl)-6-chloropyrimidin-4-yl]amino]-2-ethylbutan-1-ol
CID 143946581
[3-[[2-[(3-fluoro-5-methylphenyl)methylamino]-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143945386
1-[(1R,3S)-3-[[6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 70919509
(1S,2R,3R)-3-(hydroxymethyl)-1-[[6-methyl-2-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]amino]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 163984577
[(1R,3S)-3-[[2-(3-fluoroanilino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 70643890

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol (CID 143946347) is 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol is CCC(CO)CCNc1nc(NCc2ccco2)nc(C)c1-c1nc2cnccc2s1.
What is the InChIKey of 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is UFDHZSIBGOGZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-3-15(13-29)6-9-24-20-19(21-27-17-12-23-8-7-18(17)31-21)14(2)26-22(28-20)25-11-16-5-4-10-30-16/h4-5,7-8,10,12,15,29H,3,6,9,11,13H2,1-2H3,(H2,24,25,26,28).
What are the key properties of 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol?
2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 438.56 g/mol, XLogP of 4.48, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[2-(furan-2-ylmethylamino)-6-methyl-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 143946347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).