6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine

C14H11BrN4O — CID 155339467

IUPAC6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine
SMILESCc1ccc(COc2ncnc3ncc(Br)cc23)cn1
InChIInChI=1S/C14H11BrN4O/c1-9-2-3-10(5-16-9)7-20-14-12-4-11(15)6-17-13(12)18-8-19-14/h2-6,8H,7H2,1H3
InChIKeyUTKMBXSEPICKEM-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.07
Rot. Bonds3

About 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine

6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine (PubChem CID 155339467) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine
PubChem CID155339467
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine
SMILESCc1ccc(COc2ncnc3ncc(Br)cc23)cn1
InChIInChI=1S/C14H11BrN4O/c1-9-2-3-10(5-16-9)7-20-14-12-4-11(15)6-17-13(12)18-8-19-14/h2-6,8H,7H2,1H3
InChIKeyUTKMBXSEPICKEM-UHFFFAOYSA-N
XLogP3.07
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine?
The IUPAC name of 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine (CID 155339467) is 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine is Cc1ccc(COc2ncnc3ncc(Br)cc23)cn1.
What is the InChIKey of 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine?
The InChIKey is UTKMBXSEPICKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-9-2-3-10(5-16-9)7-20-14-12-4-11(15)6-17-13(12)18-8-19-14/h2-6,8H,7H2,1H3.
What are the key properties of 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine?
6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine has a molecular weight of 331.17 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(6-methyl-3-pyridinyl)methoxy]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 155339467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).