(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C21H26ClN5O4 — CID 58570229

IUPAC(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCc1cc2cc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(CC)n1
InChIInChI=1S/C21H26ClN5O4/c1-3-11-5-9-7-14(31-18(9)12(4-2)24-11)15-19(22)26-21(23)27-20(15)25-13-6-10(8-28)16(29)17(13)30/h5,7,10,13,16-17,28-30H,3-4,6,8H2,1-2H3,(H3,23,25,26,27)/t10-,13-,16-,17+/m1/s1
InChIKeyKOGGSUUPTDEMBD-IXZQUYOESA-N
MW447.92 g/mol
LogP2.16
Rot. Bonds6

About (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 58570229) has the molecular formula C21H26ClN5O4 and a molecular weight of 447.92 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID58570229
Molecular FormulaC21H26ClN5O4
Molecular Weight447.92 g/mol
Exact Mass447.17
IUPAC Name(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCc1cc2cc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(CC)n1
InChIInChI=1S/C21H26ClN5O4/c1-3-11-5-9-7-14(31-18(9)12(4-2)24-11)15-19(22)26-21(23)27-20(15)25-13-6-10(8-28)16(29)17(13)30/h5,7,10,13,16-17,28-30H,3-4,6,8H2,1-2H3,(H3,23,25,26,27)/t10-,13-,16-,17+/m1/s1
InChIKeyKOGGSUUPTDEMBD-IXZQUYOESA-N
XLogP2.16
TPSA150.55 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 52.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-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-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 58570229) is (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is CCc1cc2cc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(CC)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is KOGGSUUPTDEMBD-IXZQUYOESA-N. The full InChI is InChI=1S/C21H26ClN5O4/c1-3-11-5-9-7-14(31-18(9)12(4-2)24-11)15-19(22)26-21(23)27-20(15)25-13-6-10(8-28)16(29)17(13)30/h5,7,10,13,16-17,28-30H,3-4,6,8H2,1-2H3,(H3,23,25,26,27)/t10-,13-,16-,17+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 447.92 g/mol, XLogP of 2.16, 6 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-amino-6-chloro-5-(5,7-diethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 58570229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).