2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol

C₁₈H₁₉N₅O — CID 118443761

About 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol

2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol (PubChem CID 118443761) has the molecular formula C₁₈H₁₉N₅O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
• PubChem CID: 118443761
• Molecular Formula: C₁₈H₁₉N₅O
• Molecular Weight: 321.38 g/mol
• Exact Mass: 321.16
• IUPAC Name: 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
• SMILES: CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2cncnc2)cn1
• InChI: InChI=1S/C18H19N5O/c1-17(2,3)18(24,15-9-21-12-22-10-15)16-5-4-13(8-23-16)14-6-19-11-20-7-14/h4-12,24H,1-3H3
• InChIKey: VGUZAQKBURPNOA-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 84.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.38
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol?

The IUPAC name of 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol (CID 118443761) is 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol.

What is the SMILES notation for 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol?

The canonical SMILES for 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol is CC(C)(C)C(O)(c1cncnc1)c1ccc(-c2cncnc2)cn1.

What is the InChIKey of 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol?

The InChIKey is VGUZAQKBURPNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-17(2,3)18(24,15-9-21-12-22-10-15)16-5-4-13(8-23-16)14-6-19-11-20-7-14/h4-12,24H,1-3H3.

What are the key properties of 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol?

2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol has a molecular weight of 321.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 118443761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118443761 — identifiers, structure, computed properties (public domain)

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