3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C15H19BN4O2 — CID 155744973

IUPAC3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2cnc(N)c(-c3cncnc3)c2)OC1(C)C
InChIInChI=1S/C15H19BN4O2/c1-14(2)15(3,4)22-16(21-14)11-5-12(13(17)20-8-11)10-6-18-9-19-7-10/h5-9H,1-4H3,(H2,17,20)
InChIKeyVXPKPZOOBZCNEH-UHFFFAOYSA-N
MW298.15 g/mol
LogP1.42
Rot. Bonds2

About 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 155744973) has the molecular formula C15H19BN4O2 and a molecular weight of 298.15 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID155744973
Molecular FormulaC15H19BN4O2
Molecular Weight298.15 g/mol
Exact Mass298.16
IUPAC Name3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCC1(C)OB(c2cnc(N)c(-c3cncnc3)c2)OC1(C)C
InChIInChI=1S/C15H19BN4O2/c1-14(2)15(3,4)22-16(21-14)11-5-12(13(17)20-8-11)10-6-18-9-19-7-10/h5-9H,1-4H3,(H2,17,20)
InChIKeyVXPKPZOOBZCNEH-UHFFFAOYSA-N
XLogP1.42
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 155744973) is 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2cnc(N)c(-c3cncnc3)c2)OC1(C)C.
What is the InChIKey of 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is VXPKPZOOBZCNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BN4O2/c1-14(2)15(3,4)22-16(21-14)11-5-12(13(17)20-8-11)10-6-18-9-19-7-10/h5-9H,1-4H3,(H2,17,20).
What are the key properties of 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 298.15 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 155744973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).