6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

C14H11BrN4O — CID 134686864

IUPAC6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3ncc(Br)cc23)cc1
InChIInChI=1S/C14H11BrN4O/c1-20-11-4-2-10(3-5-11)19-14-12-6-9(15)7-16-13(12)17-8-18-14/h2-8H,1H3,(H,16,17,18,19)
InChIKeyXSZCKYNSUTZVNB-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.54
Rot. Bonds3

About 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine

6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 134686864) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID134686864
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3ncc(Br)cc23)cc1
InChIInChI=1S/C14H11BrN4O/c1-20-11-4-2-10(3-5-11)19-14-12-6-9(15)7-16-13(12)17-8-18-14/h2-8H,1H3,(H,16,17,18,19)
InChIKeyXSZCKYNSUTZVNB-UHFFFAOYSA-N
XLogP3.54
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 134686864) is 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3ncc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is XSZCKYNSUTZVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-20-11-4-2-10(3-5-11)19-14-12-6-9(15)7-16-13(12)17-8-18-14/h2-8H,1H3,(H,16,17,18,19).
What are the key properties of 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine?
6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 331.17 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134686864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).