2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium

C26H34N9O2S+ — CID 158719984

About 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium

2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium (PubChem CID 158719984) has the molecular formula C26H34N9O2S+ and a molecular weight of 536.69 g/mol. Its IUPAC name is 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium.

Molecular Properties

• Compound Name: 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium
• PubChem CID: 158719984
• Molecular Formula: C26H34N9O2S+
• Molecular Weight: 536.69 g/mol
• Exact Mass: 536.26
• IUPAC Name: 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium
• SMILES: Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](C(C)(C)N=[N+]=N)[C@@H](O)[C@H]2O)c1-c1nc2c(C3CC3)nccc2s1
• InChI: InChI=1S/C26H34N9O2S/c1-12-18(24-32-20-17(38-24)8-9-28-19(20)14-6-7-14)23(33-25(30-12)29-11-13-4-5-13)31-16-10-15(21(36)22(16)37)26(2,3)34-35-27/h8-9,13-16,21-22,27,36-37H,4-7,10-11H2,1-3H3,(H2,29,30,31,33)/q+1/t15-,16+,21+,22-/m0/s1
• InChIKey: IJUGZJCKSFIKIG-LDHQQMMRSA-N
• XLogP: 4.01
• TPSA: 166.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.69
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium?

The IUPAC name of 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium (CID 158719984) is 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium.

What is the SMILES notation for 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium?

The canonical SMILES for 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium is Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](C(C)(C)N=[N+]=N)[C@@H](O)[C@H]2O)c1-c1nc2c(C3CC3)nccc2s1.

What is the InChIKey of 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium?

The InChIKey is IJUGZJCKSFIKIG-LDHQQMMRSA-N. The full InChI is InChI=1S/C26H34N9O2S/c1-12-18(24-32-20-17(38-24)8-9-28-19(20)14-6-7-14)23(33-25(30-12)29-11-13-4-5-13)31-16-10-15(21(36)22(16)37)26(2,3)34-35-27/h8-9,13-16,21-22,27,36-37H,4-7,10-11H2,1-3H3,(H2,29,30,31,33)/q+1/t15-,16+,21+,22-/m0/s1.

What are the key properties of 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium?

2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium has a molecular weight of 536.69 g/mol, XLogP of 4.01, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2R,3S,4R)-4-[[2-(cyclopropylmethylamino)-5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-6-methylpyrimidin-4-yl]amino]-2,3-dihydroxycyclopentyl]propan-2-ylimino-iminoazanium is sourced from PubChem (CID 158719984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).