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

C29H35N5O7 — CID 58570483

About (1R,2S,3R,5R)-3-[[2-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-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-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 58570483) has the molecular formula C29H35N5O7 and a molecular weight of 565.63 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[2-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-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-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
• PubChem CID: 58570483
• Molecular Formula: C29H35N5O7
• Molecular Weight: 565.63 g/mol
• Exact Mass: 565.25
• IUPAC Name: (1R,2S,3R,5R)-3-[[2-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
• SMILES: COc1cc(CNc2nc(C)c(-c3cc4cc(OC)nc(C)c4o3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(OC)c1
• InChI: InChI=1S/C29H35N5O7/c1-14-24(22-9-17-10-23(40-5)31-15(2)27(17)41-22)28(33-21-8-18(13-35)25(36)26(21)37)34-29(32-14)30-12-16-6-19(38-3)11-20(7-16)39-4/h6-7,9-11,18,21,25-26,35-37H,8,12-13H2,1-5H3,(H2,30,32,33,34)/t18-,21-,25-,26+/m1/s1
• InChIKey: VEORURYLIQSPBN-ZMSGYCMXSA-N
• XLogP: 3.05
• TPSA: 164.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.63
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[2-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-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-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 58570483) is (1R,2S,3R,5R)-3-[[2-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-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-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-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-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is COc1cc(CNc2nc(C)c(-c3cc4cc(OC)nc(C)c4o3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(OC)c1.

What is the InChIKey of (1R,2S,3R,5R)-3-[[2-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?

The InChIKey is VEORURYLIQSPBN-ZMSGYCMXSA-N. The full InChI is InChI=1S/C29H35N5O7/c1-14-24(22-9-17-10-23(40-5)31-15(2)27(17)41-22)28(33-21-8-18(13-35)25(36)26(21)37)34-29(32-14)30-12-16-6-19(38-3)11-20(7-16)39-4/h6-7,9-11,18,21,25-26,35-37H,8,12-13H2,1-5H3,(H2,30,32,33,34)/t18-,21-,25-,26+/m1/s1.

What are the key properties of (1R,2S,3R,5R)-3-[[2-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-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-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 565.63 g/mol, XLogP of 3.05, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3R,5R)-3-[[2-[(3,5-dimethoxyphenyl)methylamino]-5-(5-methoxy-7-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 58570483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).