N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine

C14H19BN4O2 — CID 71304568

IUPACN-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1
InChIInChI=1S/C14H19BN4O2/c1-13(2)14(3,4)21-15(20-13)10-6-9-7-18-12(16-5)19-11(9)17-8-10/h6-8H,1-5H3,(H,16,17,18,19)
InChIKeyBFYWWBLERXAQIH-UHFFFAOYSA-N
MW286.14 g/mol
LogP1.37
Rot. Bonds2

About N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine

N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 71304568) has the molecular formula C14H19BN4O2 and a molecular weight of 286.14 g/mol. Its IUPAC name is N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID71304568
Molecular FormulaC14H19BN4O2
Molecular Weight286.14 g/mol
Exact Mass286.16
IUPAC NameN-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine
SMILESCNc1ncc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1
InChIInChI=1S/C14H19BN4O2/c1-13(2)14(3,4)21-15(20-13)10-6-9-7-18-12(16-5)19-11(9)17-8-10/h6-8H,1-5H3,(H,16,17,18,19)
InChIKeyBFYWWBLERXAQIH-UHFFFAOYSA-N
XLogP1.37
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 163369223
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,8-naphthyridine
CID 58516857
trimethyl-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridin-2-yl]silane
CID 76848426
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 154676046
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]acetamide
CID 46739601
1-[2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]ethanone
CID 137346802
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-naphthyridine
CID 175653952
3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 59535310
N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
CID 59619673
6-bromo-N,7-dimethylpyrido[2,3-d]pyrimidin-2-amine
CID 86697012
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 53216772
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 59619681

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine (CID 71304568) is N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine is CNc1ncc2cc(B3OC(C)(C)C(C)(C)O3)cnc2n1.
What is the InChIKey of N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is BFYWWBLERXAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BN4O2/c1-13(2)14(3,4)21-15(20-13)10-6-9-7-18-12(16-5)19-11(9)17-8-10/h6-8H,1-5H3,(H,16,17,18,19).
What are the key properties of N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine?
N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 286.14 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 71304568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).