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

C19H22ClN5O4 — CID 58570466

IUPAC(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCc1nccc2cc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc12
InChIInChI=1S/C19H22ClN5O4/c1-2-10-16-8(3-4-22-10)6-12(29-16)13-17(20)24-19(21)25-18(13)23-11-5-9(7-26)14(27)15(11)28/h3-4,6,9,11,14-15,26-28H,2,5,7H2,1H3,(H3,21,23,24,25)/t9-,11-,14-,15+/m1/s1
InChIKeyXQYIPFIGUALNKC-VGKMCQHDSA-N
MW419.87 g/mol
LogP1.60
Rot. Bonds5

About (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(7-ethylfuro[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-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 58570466) has the molecular formula C19H22ClN5O4 and a molecular weight of 419.87 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(7-ethylfuro[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-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID58570466
Molecular FormulaC19H22ClN5O4
Molecular Weight419.87 g/mol
Exact Mass419.14
IUPAC Name(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCc1nccc2cc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc12
InChIInChI=1S/C19H22ClN5O4/c1-2-10-16-8(3-4-22-10)6-12(29-16)13-17(20)24-19(21)25-18(13)23-11-5-9(7-26)14(27)15(11)28/h3-4,6,9,11,14-15,26-28H,2,5,7H2,1H3,(H3,21,23,24,25)/t9-,11-,14-,15+/m1/s1
InChIKeyXQYIPFIGUALNKC-VGKMCQHDSA-N
XLogP1.60
TPSA150.55 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 51.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(7-ethylfuro[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-(7-ethylfuro[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-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 58570466) is (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(7-ethylfuro[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-(7-ethylfuro[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-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is CCc1nccc2cc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc12.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is XQYIPFIGUALNKC-VGKMCQHDSA-N. The full InChI is InChI=1S/C19H22ClN5O4/c1-2-10-16-8(3-4-22-10)6-12(29-16)13-17(20)24-19(21)25-18(13)23-11-5-9(7-26)14(27)15(11)28/h3-4,6,9,11,14-15,26-28H,2,5,7H2,1H3,(H3,21,23,24,25)/t9-,11-,14-,15+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(7-ethylfuro[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-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 419.87 g/mol, XLogP of 1.60, 5 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-(7-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 58570466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).