4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine

C14H11BrN4O — CID 54557881

IUPAC4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc2nc(N)nc(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C14H11BrN4O/c1-20-11-6-5-10-13(18-11)12(19-14(16)17-10)8-3-2-4-9(15)7-8/h2-7H,1H3,(H2,16,17,19)
InChIKeyZOKXPFTZRSZHFJ-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.05
Rot. Bonds2

About 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine

4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine (PubChem CID 54557881) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine
PubChem CID54557881
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine
SMILESCOc1ccc2nc(N)nc(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C14H11BrN4O/c1-20-11-6-5-10-13(18-11)12(19-14(16)17-10)8-3-2-4-9(15)7-8/h2-7H,1H3,(H2,16,17,19)
InChIKeyZOKXPFTZRSZHFJ-UHFFFAOYSA-N
XLogP3.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine (CID 54557881) is 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine is COc1ccc2nc(N)nc(-c3cccc(Br)c3)c2n1.
What is the InChIKey of 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is ZOKXPFTZRSZHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-20-11-6-5-10-13(18-11)12(19-14(16)17-10)8-3-2-4-9(15)7-8/h2-7H,1H3,(H2,16,17,19).
What are the key properties of 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine?
4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 331.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 54557881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).