(2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol

C25H30N6O4 — CID 167209382

About (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol

(2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 167209382) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol
• PubChem CID: 167209382
• Molecular Formula: C25H30N6O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.23
• IUPAC Name: (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol
• SMILES: COc1ccc(NC(O)[C@@H](C)N(C)c2nc(-c3cc(OC4COC4)ccn3)nc3c2CCC3)cn1
• InChI: InChI=1S/C25H30N6O4/c1-15(25(32)28-16-7-8-22(33-3)27-12-16)31(2)24-19-5-4-6-20(19)29-23(30-24)21-11-17(9-10-26-21)35-18-13-34-14-18/h7-12,15,18,25,28,32H,4-6,13-14H2,1-3H3/t15-,25?/m1/s1
• InChIKey: VOQSITQRHUCSHM-FXBVVIMESA-N
• XLogP: 2.46
• TPSA: 114.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
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 (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol?

The IUPAC name of (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol (CID 167209382) is (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol.

What is the SMILES notation for (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol?

The canonical SMILES for (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol is COc1ccc(NC(O)[C@@H](C)N(C)c2nc(-c3cc(OC4COC4)ccn3)nc3c2CCC3)cn1.

What is the InChIKey of (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol?

The InChIKey is VOQSITQRHUCSHM-FXBVVIMESA-N. The full InChI is InChI=1S/C25H30N6O4/c1-15(25(32)28-16-7-8-22(33-3)27-12-16)31(2)24-19-5-4-6-20(19)29-23(30-24)21-11-17(9-10-26-21)35-18-13-34-14-18/h7-12,15,18,25,28,32H,4-6,13-14H2,1-3H3/t15-,25?/m1/s1.

What are the key properties of (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol?

(2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 478.55 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[(6-methoxy-3-pyridinyl)amino]-2-[methyl-[2-[4-(oxetan-3-yloxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 167209382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).