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

C15H21BN4O3 — CID 163369223

IUPAC7-methoxy-N-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)c(OC)nc2n1
InChIInChI=1S/C15H21BN4O3/c1-14(2)15(3,4)23-16(22-14)10-7-9-8-18-13(17-5)20-11(9)19-12(10)21-6/h7-8H,1-6H3,(H,17,18,19,20)
InChIKeyNPOIQRHTIGDWLN-UHFFFAOYSA-N
MW316.17 g/mol
LogP1.37
Rot. Bonds3

About 7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine

7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 163369223) has the molecular formula C15H21BN4O3 and a molecular weight of 316.17 g/mol. Its IUPAC name is 7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine
PubChem CID163369223
Molecular FormulaC15H21BN4O3
Molecular Weight316.17 g/mol
Exact Mass316.17
IUPAC Name7-methoxy-N-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)c(OC)nc2n1
InChIInChI=1S/C15H21BN4O3/c1-14(2)15(3,4)23-16(22-14)10-7-9-8-18-13(17-5)20-11(9)19-12(10)21-6/h7-8H,1-6H3,(H,17,18,19,20)
InChIKeyNPOIQRHTIGDWLN-UHFFFAOYSA-N
XLogP1.37
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 7-methoxy-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 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) is 7-methoxy-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 7-methoxy-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 7-methoxy-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)c(OC)nc2n1.
What is the InChIKey of 7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is NPOIQRHTIGDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BN4O3/c1-14(2)15(3,4)23-16(22-14)10-7-9-8-18-13(17-5)20-11(9)19-12(10)21-6/h7-8H,1-6H3,(H,17,18,19,20).
What are the key properties of 7-methoxy-N-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidin-2-amine?
7-methoxy-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 316.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-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 163369223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).