4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

C15H23BN2O3 — CID 162378726

IUPAC4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCOc1ncnc(C2CCC2)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-12(10-7-6-8-10)17-9-18-13(11)19-5/h9-10H,6-8H2,1-5H3
InChIKeyOGFUQSRZMLOCNW-UHFFFAOYSA-N
MW290.17 g/mol
LogP2.05
Rot. Bonds3

About 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (PubChem CID 162378726) has the molecular formula C15H23BN2O3 and a molecular weight of 290.17 g/mol. Its IUPAC name is 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
PubChem CID162378726
Molecular FormulaC15H23BN2O3
Molecular Weight290.17 g/mol
Exact Mass290.18
IUPAC Name4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
SMILESCOc1ncnc(C2CCC2)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-12(10-7-6-8-10)17-9-18-13(11)19-5/h9-10H,6-8H2,1-5H3
InChIKeyOGFUQSRZMLOCNW-UHFFFAOYSA-N
XLogP2.05
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 101043835
tert-butyl N-[4-cyclopropyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 147376085
2-(6-methoxy-5-methylpyrimidin-4-yl)cyclopentan-1-amine
CID 112710672
2-cyclobutyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrimidin-6-one
CID 165466315
3-(4-cyclopentyl-6-methoxypyrimidin-5-yl)propan-1-amine
CID 105496788
2-(4-cyclopentyl-6-methoxypyrimidin-5-yl)acetic acid
CID 105497676
N-(4-cyclopropyl-6-methoxypyrimidin-5-yl)hydroxylamine
CID 172585709
2-(2-cyclopropyl-6-fluoro-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169153989
4-cyclohexyl-6,7-dimethoxyquinazoline
CID 67650996
2-(3-cyclohexyl-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140885765
4-cyclobutyl-2-(3,5-dimethoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazin-3-one
CID 140809504
4-methoxy-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83845803

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The IUPAC name of 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine (CID 162378726) is 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The canonical SMILES for 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is COc1ncnc(C2CCC2)c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
The InChIKey is OGFUQSRZMLOCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BN2O3/c1-14(2)15(3,4)21-16(20-14)11-12(10-7-6-8-10)17-9-18-13(11)19-5/h9-10H,6-8H2,1-5H3.
What are the key properties of 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine?
4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine has a molecular weight of 290.17 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine is sourced from PubChem (CID 162378726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).