4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C14H21BN2O2 — CID 101043835

IUPAC4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCc1ncnc(C2CC2)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H21BN2O2/c1-9-11(12(10-6-7-10)17-8-16-9)15-18-13(2,3)14(4,5)19-15/h8,10H,6-7H2,1-5H3
InChIKeyRLEXETKOIHCWFV-UHFFFAOYSA-N
MW260.15 g/mol
LogP1.96
Rot. Bonds2

About 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 101043835) has the molecular formula C14H21BN2O2 and a molecular weight of 260.15 g/mol. Its IUPAC name is 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
PubChem CID101043835
Molecular FormulaC14H21BN2O2
Molecular Weight260.15 g/mol
Exact Mass260.17
IUPAC Name4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCc1ncnc(C2CC2)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C14H21BN2O2/c1-9-11(12(10-6-7-10)17-8-16-9)15-18-13(2,3)14(4,5)19-15/h8,10H,6-7H2,1-5H3
InChIKeyRLEXETKOIHCWFV-UHFFFAOYSA-N
XLogP1.96
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 162378726
2-cyclopropyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 176676479
4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 82372474
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
CID 140838775
4,8-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 152712200
2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66521522
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexan-1-ol
CID 123412446
2-(2-cyclopropyl-6-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169153989
2-[(3R)-3-fluoropyrrolidin-1-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 171545633
ethane;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 142330584
2-(3-cyclohexyl-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140885765
2-cyclobutyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrimidin-6-one
CID 165466315

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The IUPAC name of 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 101043835) is 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is Cc1ncnc(C2CC2)c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The InChIKey is RLEXETKOIHCWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BN2O2/c1-9-11(12(10-6-7-10)17-8-16-9)15-18-13(2,3)14(4,5)19-15/h8,10H,6-7H2,1-5H3.
What are the key properties of 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 260.15 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 101043835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).