[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol

C15H24BN3O3 — CID 71633879

IUPAC[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
SMILESCC1(C)OB(c2cnc(N3CCC(CO)C3)nc2)OC1(C)C
InChIInChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-7-17-13(18-8-12)19-6-5-11(9-19)10-20/h7-8,11,20H,5-6,9-10H2,1-4H3
InChIKeyCBJLGRBASUBXGK-UHFFFAOYSA-N
MW305.19 g/mol
LogP0.59
Rot. Bonds3

About [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol

[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 71633879) has the molecular formula C15H24BN3O3 and a molecular weight of 305.19 g/mol. Its IUPAC name is [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
PubChem CID71633879
Molecular FormulaC15H24BN3O3
Molecular Weight305.19 g/mol
Exact Mass305.19
IUPAC Name[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
SMILESCC1(C)OB(c2cnc(N3CCC(CO)C3)nc2)OC1(C)C
InChIInChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-7-17-13(18-8-12)19-6-5-11(9-19)10-20/h7-8,11,20H,5-6,9-10H2,1-4H3
InChIKeyCBJLGRBASUBXGK-UHFFFAOYSA-N
XLogP0.59
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 50.59
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 [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol (CID 71633879) is [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol is CC1(C)OB(c2cnc(N3CCC(CO)C3)nc2)OC1(C)C.
What is the InChIKey of [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is CBJLGRBASUBXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN3O3/c1-14(2)15(3,4)22-16(21-14)12-7-17-13(18-8-12)19-6-5-11(9-19)10-20/h7-8,11,20H,5-6,9-10H2,1-4H3.
What are the key properties of [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol?
[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 305.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 71633879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).