3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol

C23H29N7O2S — CID 123933828

IUPAC3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
SMILESCc1nc(NCC2CC2)nc(NC2CC(N)C(O)C2O)c1-c1nc2c(C3CC3)nccc2s1
InChIInChI=1S/C23H29N7O2S/c1-10-16(22-29-18-15(33-22)6-7-25-17(18)12-4-5-12)21(28-14-8-13(24)19(31)20(14)32)30-23(27-10)26-9-11-2-3-11/h6-7,11-14,19-20,31-32H,2-5,8-9,24H2,1H3,(H2,26,27,28,30)
InChIKeySAYOXMGMYQNKGU-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.39
Rot. Bonds7

About 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol

3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol (PubChem CID 123933828) has the molecular formula C23H29N7O2S and a molecular weight of 467.60 g/mol. Its IUPAC name is 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
PubChem CID123933828
Molecular FormulaC23H29N7O2S
Molecular Weight467.60 g/mol
Exact Mass467.21
IUPAC Name3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
SMILESCc1nc(NCC2CC2)nc(NC2CC(N)C(O)C2O)c1-c1nc2c(C3CC3)nccc2s1
InChIInChI=1S/C23H29N7O2S/c1-10-16(22-29-18-15(33-22)6-7-25-17(18)12-4-5-12)21(28-14-8-13(24)19(31)20(14)32)30-23(27-10)26-9-11-2-3-11/h6-7,11-14,19-20,31-32H,2-5,8-9,24H2,1H3,(H2,26,27,28,30)
InChIKeySAYOXMGMYQNKGU-UHFFFAOYSA-N
XLogP2.39
TPSA142.10 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol with MolForge

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Related Compounds

1-cyclopentyl-3-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-one
CID 159200796
3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
CID 77446988
2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium
CID 158719984
1-[(1R,2R,3S,4R)-4-[[2-(cyclobutylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]-4,4-dimethylpentan-2-one
CID 147178943
(1R,2S,3R,5R)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(spiro[2.3]hexan-5-ylmethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 53374492
(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]-5-(3-hydroxypentan-3-yl)cyclopentane-1,2-diol
CID 53373873
(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]-5-(2-hydroxy-1,3-dimethoxypropan-2-yl)cyclopentane-1,2-diol
CID 53374206
3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 123142880
(1R,2S,3R,5R)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 122527721
(1R,2S,3R,5R)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[[(1S,2R)-2-methoxycyclopentyl]amino]-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 90366453
propan-2-yl (1S,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-6-methyl-5-(4-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrimidin-4-yl]amino]-2,3-dihydroxycyclopentane-1-carboxylate
CID 90366085
(1R,2S,5S)-3-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,2-dimethylcyclopropyl)methylamino]-6-methylpyrimidin-4-yl]amino]-5-(methylsulfonylmethyl)cyclopentane-1,2-diol
CID 90369055

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol?
The IUPAC name of 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol (CID 123933828) is 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol.
What is the SMILES notation for 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol?
The canonical SMILES for 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol is Cc1nc(NCC2CC2)nc(NC2CC(N)C(O)C2O)c1-c1nc2c(C3CC3)nccc2s1.
What is the InChIKey of 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol?
The InChIKey is SAYOXMGMYQNKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2S/c1-10-16(22-29-18-15(33-22)6-7-25-17(18)12-4-5-12)21(28-14-8-13(24)19(31)20(14)32)30-23(27-10)26-9-11-2-3-11/h6-7,11-14,19-20,31-32H,2-5,8-9,24H2,1H3,(H2,26,27,28,30).
What are the key properties of 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol?
3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol has a molecular weight of 467.60 g/mol, XLogP of 2.39, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol is sourced from PubChem (CID 123933828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).