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

C10H16BN3O2 — CID 69090342

IUPACN-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
SMILESCC1(C)OB(Nc2ncccn2)OC1(C)C
InChIInChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)14-8-12-6-5-7-13-8/h5-7H,1-4H3,(H,12,13,14)
InChIKeyNFIWWZUEZYGOTB-UHFFFAOYSA-N
MW221.07 g/mol
LogP1.48
Rot. Bonds2

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

N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine (PubChem CID 69090342) has the molecular formula C10H16BN3O2 and a molecular weight of 221.07 g/mol. Its IUPAC name is N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
PubChem CID69090342
Molecular FormulaC10H16BN3O2
Molecular Weight221.07 g/mol
Exact Mass221.13
IUPAC NameN-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
SMILESCC1(C)OB(Nc2ncccn2)OC1(C)C
InChIInChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)14-8-12-6-5-7-13-8/h5-7H,1-4H3,(H,12,13,14)
InChIKeyNFIWWZUEZYGOTB-UHFFFAOYSA-N
XLogP1.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine (CID 69090342) is N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine is CC1(C)OB(Nc2ncccn2)OC1(C)C.
What is the InChIKey of N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine?
The InChIKey is NFIWWZUEZYGOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)14-8-12-6-5-7-13-8/h5-7H,1-4H3,(H,12,13,14).
What are the key properties of N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine?
N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine has a molecular weight of 221.07 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 69090342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).