(1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C25H35N5O4 — CID 58570729

IUPAC(1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2cn1
InChIInChI=1S/C25H35N5O4/c1-6-16-7-14-9-18(34-19(14)10-26-16)20-13(2)28-24(27-12-25(3,4)5)30-23(20)29-17-8-15(11-31)21(32)22(17)33/h7,9-10,15,17,21-22,31-33H,6,8,11-12H2,1-5H3,(H2,27,28,29,30)/t15-,17-,21-,22+/m1/s1
InChIKeyFNSXSEYTIBETAG-VIDZHXABSA-N
MW469.59 g/mol
LogP3.13
Rot. Bonds7

About (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 58570729) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID58570729
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC Name(1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2cn1
InChIInChI=1S/C25H35N5O4/c1-6-16-7-14-9-18(34-19(14)10-26-16)20-13(2)28-24(27-12-25(3,4)5)30-23(20)29-17-8-15(11-31)21(32)22(17)33/h7,9-10,15,17,21-22,31-33H,6,8,11-12H2,1-5H3,(H2,27,28,29,30)/t15-,17-,21-,22+/m1/s1
InChIKeyFNSXSEYTIBETAG-VIDZHXABSA-N
XLogP3.13
TPSA136.56 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 58570729) is (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is CCc1cc2cc(-c3c(C)nc(NCC(C)(C)C)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2cn1.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is FNSXSEYTIBETAG-VIDZHXABSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-6-16-7-14-9-18(34-19(14)10-26-16)20-13(2)28-24(27-12-25(3,4)5)30-23(20)29-17-8-15(11-31)21(32)22(17)33/h7,9-10,15,17,21-22,31-33H,6,8,11-12H2,1-5H3,(H2,27,28,29,30)/t15-,17-,21-,22+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 469.59 g/mol, XLogP of 3.13, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[[2-(2,2-dimethylpropylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 58570729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).