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

C19H22ClN5O5 — CID 46175314

IUPAC(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCOc1cc2cc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1
InChIInChI=1S/C19H22ClN5O5/c1-7-16-8(5-12(22-7)29-2)4-11(30-16)13-17(20)24-19(21)25-18(13)23-10-3-9(6-26)14(27)15(10)28/h4-5,9-10,14-15,26-28H,3,6H2,1-2H3,(H3,21,23,24,25)/t9-,10-,14-,15+/m1/s1
InChIKeyGMNAUYQLKGRBOC-IDMWTJEOSA-N
MW435.87 g/mol
LogP1.35
Rot. Bonds5

About (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-methoxy-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-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 46175314) has the molecular formula C19H22ClN5O5 and a molecular weight of 435.87 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-methoxy-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-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID46175314
Molecular FormulaC19H22ClN5O5
Molecular Weight435.87 g/mol
Exact Mass435.13
IUPAC Name(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCOc1cc2cc(-c3c(Cl)nc(N)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1
InChIInChI=1S/C19H22ClN5O5/c1-7-16-8(5-12(22-7)29-2)4-11(30-16)13-17(20)24-19(21)25-18(13)23-10-3-9(6-26)14(27)15(10)28/h4-5,9-10,14-15,26-28H,3,6H2,1-2H3,(H3,21,23,24,25)/t9-,10-,14-,15+/m1/s1
InChIKeyGMNAUYQLKGRBOC-IDMWTJEOSA-N
XLogP1.35
TPSA159.78 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 51.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-methoxy-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-methoxy-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-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 46175314) is (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-methoxy-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-methoxy-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-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is COc1cc2cc(-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-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is GMNAUYQLKGRBOC-IDMWTJEOSA-N. The full InChI is InChI=1S/C19H22ClN5O5/c1-7-16-8(5-12(22-7)29-2)4-11(30-16)13-17(20)24-19(21)25-18(13)23-10-3-9(6-26)14(27)15(10)28/h4-5,9-10,14-15,26-28H,3,6H2,1-2H3,(H3,21,23,24,25)/t9-,10-,14-,15+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-methoxy-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-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 435.87 g/mol, XLogP of 1.35, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 46175314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).