(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C25H33N5O5 — CID 62707304

IUPAC(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1
InChIInChI=1S/C25H33N5O5/c1-4-34-19-9-15-8-18(35-23(15)13(3)27-19)20-12(2)28-25(26-10-14-5-6-14)30-24(20)29-17-7-16(11-31)21(32)22(17)33/h8-9,14,16-17,21-22,31-33H,4-7,10-11H2,1-3H3,(H2,26,28,29,30)/t16-,17-,21-,22+/m1/s1
InChIKeyDONFDHBRTMLPCG-ZYOFANERSA-N
MW483.57 g/mol
LogP2.64
Rot. Bonds9

About (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 62707304) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID62707304
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Name(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCCOc1cc2cc(-c3c(C)nc(NCC4CC4)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1
InChIInChI=1S/C25H33N5O5/c1-4-34-19-9-15-8-18(35-23(15)13(3)27-19)20-12(2)28-25(26-10-14-5-6-14)30-24(20)29-17-7-16(11-31)21(32)22(17)33/h8-9,14,16-17,21-22,31-33H,4-7,10-11H2,1-3H3,(H2,26,28,29,30)/t16-,17-,21-,22+/m1/s1
InChIKeyDONFDHBRTMLPCG-ZYOFANERSA-N
XLogP2.64
TPSA145.79 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 62707304) is (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is CCOc1cc2cc(-c3c(C)nc(NCC4CC4)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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is DONFDHBRTMLPCG-ZYOFANERSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-4-34-19-9-15-8-18(35-23(15)13(3)27-19)20-12(2)28-25(26-10-14-5-6-14)30-24(20)29-17-7-16(11-31)21(32)22(17)33/h8-9,14,16-17,21-22,31-33H,4-7,10-11H2,1-3H3,(H2,26,28,29,30)/t16-,17-,21-,22+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[[2-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 483.57 g/mol, XLogP of 2.64, 9 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-(cyclopropylmethylamino)-5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 62707304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).