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

C24H31N5O5 — CID 91106145

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

1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 91106145) has the molecular formula C24H31N5O5 and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

• Compound Name: 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol
• PubChem CID: 91106145
• Molecular Formula: C24H31N5O5
• Molecular Weight: 469.54 g/mol
• Exact Mass: 469.23
• IUPAC Name: 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol
• SMILES: COc1nc(C)cc2cc(-c3c(C)nc(NCC4CC4)nc3NC3(O)CCC(CO)C3O)oc12
• InChI: InChI=1S/C24H31N5O5/c1-12-8-16-9-17(34-19(16)22(26-12)33-3)18-13(2)27-23(25-10-14-4-5-14)28-21(18)29-24(32)7-6-15(11-30)20(24)31/h8-9,14-15,20,30-32H,4-7,10-11H2,1-3H3,(H2,25,27,28,29)
• InChIKey: BYDMTIHMIHOVLJ-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 145.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.54
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol?

The IUPAC name of 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol (CID 91106145) is 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol.

What is the SMILES notation for 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol?

The canonical SMILES for 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol is COc1nc(C)cc2cc(-c3c(C)nc(NCC4CC4)nc3NC3(O)CCC(CO)C3O)oc12.

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

The InChIKey is BYDMTIHMIHOVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O5/c1-12-8-16-9-17(34-19(16)22(26-12)33-3)18-13(2)27-23(25-10-14-4-5-14)28-21(18)29-24(32)7-6-15(11-30)20(24)31/h8-9,14-15,20,30-32H,4-7,10-11H2,1-3H3,(H2,25,27,28,29).

What are the key properties of 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol?

1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 469.54 g/mol, XLogP of 2.60, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-(cyclopropylmethylamino)-5-(7-methoxy-5-methylfuro[2,3-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-3-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 91106145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).