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

C20H24ClN5O4 — CID 58571065

IUPAC(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-ethyl-7-methylfuro[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(C)n1
InChIInChI=1S/C20H24ClN5O4/c1-3-11-4-9-6-13(30-17(9)8(2)23-11)14-18(21)25-20(22)26-19(14)24-12-5-10(7-27)15(28)16(12)29/h4,6,10,12,15-16,27-29H,3,5,7H2,1-2H3,(H3,22,24,25,26)/t10-,12-,15-,16+/m1/s1
InChIKeyVEEGVVLGZPWMPQ-NODPJGRNSA-N
MW433.90 g/mol
LogP1.91
Rot. Bonds5

About (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-ethyl-7-methylfuro[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-ethyl-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 58571065) has the molecular formula C20H24ClN5O4 and a molecular weight of 433.90 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-ethyl-7-methylfuro[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-ethyl-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID58571065
Molecular FormulaC20H24ClN5O4
Molecular Weight433.90 g/mol
Exact Mass433.15
IUPAC Name(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-ethyl-7-methylfuro[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(C)n1
InChIInChI=1S/C20H24ClN5O4/c1-3-11-4-9-6-13(30-17(9)8(2)23-11)14-18(21)25-20(22)26-19(14)24-12-5-10(7-27)15(28)16(12)29/h4,6,10,12,15-16,27-29H,3,5,7H2,1-2H3,(H3,22,24,25,26)/t10-,12-,15-,16+/m1/s1
InChIKeyVEEGVVLGZPWMPQ-NODPJGRNSA-N
XLogP1.91
TPSA150.55 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 51.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-ethyl-7-methylfuro[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-ethyl-7-methylfuro[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-ethyl-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 58571065) is (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-ethyl-7-methylfuro[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-ethyl-7-methylfuro[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-ethyl-7-methylfuro[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(C)n1.
What is the InChIKey of (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-ethyl-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is VEEGVVLGZPWMPQ-NODPJGRNSA-N. The full InChI is InChI=1S/C20H24ClN5O4/c1-3-11-4-9-6-13(30-17(9)8(2)23-11)14-18(21)25-20(22)26-19(14)24-12-5-10(7-27)15(28)16(12)29/h4,6,10,12,15-16,27-29H,3,5,7H2,1-2H3,(H3,22,24,25,26)/t10-,12-,15-,16+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-ethyl-7-methylfuro[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-ethyl-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 433.90 g/mol, XLogP of 1.91, 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-(5-ethyl-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 58571065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).