4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine

C15H14BrN5 — CID 5328261

IUPAC4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyQFXMHNZCUIIRHD-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.60
Rot. Bonds3

About 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine

4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328261) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328261
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKeyQFXMHNZCUIIRHD-UHFFFAOYSA-N
XLogP3.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328261) is 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine is CN(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is QFXMHNZCUIIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 344.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).