N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine

C13H9BrN4 — CID 110435165

IUPACN-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESBrc1ccc(Nc2ncnc3ncccc23)cc1
InChIInChI=1S/C13H9BrN4/c14-9-3-5-10(6-4-9)18-13-11-2-1-7-15-12(11)16-8-17-13/h1-8H,(H,15,16,17,18)
InChIKeyOFQPNXRDEPJXBL-UHFFFAOYSA-N
MW301.15 g/mol
LogP3.53
Rot. Bonds2

About N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine

N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 110435165) has the molecular formula C13H9BrN4 and a molecular weight of 301.15 g/mol. Its IUPAC name is N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID110435165
Molecular FormulaC13H9BrN4
Molecular Weight301.15 g/mol
Exact Mass300.00
IUPAC NameN-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESBrc1ccc(Nc2ncnc3ncccc23)cc1
InChIInChI=1S/C13H9BrN4/c14-9-3-5-10(6-4-9)18-13-11-2-1-7-15-12(11)16-8-17-13/h1-8H,(H,15,16,17,18)
InChIKeyOFQPNXRDEPJXBL-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-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 110435165) is N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine is Brc1ccc(Nc2ncnc3ncccc23)cc1.
What is the InChIKey of N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OFQPNXRDEPJXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4/c14-9-3-5-10(6-4-9)18-13-11-2-1-7-15-12(11)16-8-17-13/h1-8H,(H,15,16,17,18).
What are the key properties of N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine?
N-(4-bromophenyl)pyrido[2,3-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-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110435165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).