N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine

C13H9BrN4 — CID 5328249

IUPACN-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3ccncc23)c1
InChIInChI=1S/C13H9BrN4/c14-9-2-1-3-10(6-9)18-13-11-7-15-5-4-12(11)16-8-17-13/h1-8H,(H,16,17,18)
InChIKeyKXQSONXECJTULQ-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.53
Rot. Bonds2

About N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine

N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 5328249) has the molecular formula C13H9BrN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
PubChem CID5328249
Molecular FormulaC13H9BrN4
Molecular Weight301.15 g/mol
Exact Mass300.00
IUPAC NameN-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3ccncc23)c1
InChIInChI=1S/C13H9BrN4/c14-9-2-1-3-10(6-9)18-13-11-7-15-5-4-12(11)16-8-17-13/h1-8H,(H,16,17,18)
InChIKeyKXQSONXECJTULQ-UHFFFAOYSA-N
XLogP3.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine (CID 5328249) is N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine is Brc1cccc(Nc2ncnc3ccncc23)c1.
What is the InChIKey of N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is KXQSONXECJTULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4/c14-9-2-1-3-10(6-9)18-13-11-7-15-5-4-12(11)16-8-17-13/h1-8H,(H,16,17,18).
What are the key properties of N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine?
N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 301.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5328249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).