7-bromopyrido[3,2-d]pyrimidin-2-amine

C7H5BrN4 — CID 122129854

IUPAC7-bromopyrido[3,2-d]pyrimidin-2-amine
SMILESNc1ncc2ncc(Br)cc2n1
InChIInChI=1S/C7H5BrN4/c8-4-1-5-6(10-2-4)3-11-7(9)12-5/h1-3H,(H2,9,11,12)
InChIKeyTUCNHTICYFRVDK-UHFFFAOYSA-N
MW225.05 g/mol
LogP1.37
Rot. Bonds

About 7-bromopyrido[3,2-d]pyrimidin-2-amine

7-bromopyrido[3,2-d]pyrimidin-2-amine (PubChem CID 122129854) has the molecular formula C7H5BrN4 and a molecular weight of 225.05 g/mol. Its IUPAC name is 7-bromopyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-bromopyrido[3,2-d]pyrimidin-2-amine
PubChem CID122129854
Molecular FormulaC7H5BrN4
Molecular Weight225.05 g/mol
Exact Mass223.97
IUPAC Name7-bromopyrido[3,2-d]pyrimidin-2-amine
SMILESNc1ncc2ncc(Br)cc2n1
InChIInChI=1S/C7H5BrN4/c8-4-1-5-6(10-2-4)3-11-7(9)12-5/h1-3H,(H2,9,11,12)
InChIKeyTUCNHTICYFRVDK-UHFFFAOYSA-N
XLogP1.37
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pd 158780
CID 4707
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
Pyrido(2,3-b)pyrazine
CID 67580
N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 5328249
N-(3-bromophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 5328257
N-(3-bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 5328260
N-(3-bromophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 5328273
4-N-(3-bromophenyl)pyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328274
N-(3-bromophenyl)-6-fluoropyrido[3,2-d]pyrimidin-4-amine
CID 5328276
4-N-(3-bromophenyl)-6-N-methylpyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328277
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,2-d]pyrimidine-4,6-diamine
CID 5328278

Frequently Asked Questions

What is the IUPAC name of 7-bromopyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-bromopyrido[3,2-d]pyrimidin-2-amine (CID 122129854) is 7-bromopyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-bromopyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-bromopyrido[3,2-d]pyrimidin-2-amine is Nc1ncc2ncc(Br)cc2n1.
What is the InChIKey of 7-bromopyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is TUCNHTICYFRVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4/c8-4-1-5-6(10-2-4)3-11-7(9)12-5/h1-3H,(H2,9,11,12).
What are the key properties of 7-bromopyrido[3,2-d]pyrimidin-2-amine?
7-bromopyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 225.05 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromopyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 122129854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).