4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C13H9BrClN5 — CID 131745853

IUPAC4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESNc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cn1
InChIInChI=1S/C13H9BrClN5/c14-9-2-1-7(3-10(9)15)20-13-8-4-12(16)17-5-11(8)18-6-19-13/h1-6H,(H2,16,17)(H,18,19,20)
InChIKeyISNQGBDQNAVVOS-UHFFFAOYSA-N
MW350.61 g/mol
LogP3.77
Rot. Bonds2

About 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 131745853) has the molecular formula C13H9BrClN5 and a molecular weight of 350.61 g/mol. Its IUPAC name is 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID131745853
Molecular FormulaC13H9BrClN5
Molecular Weight350.61 g/mol
Exact Mass348.97
IUPAC Name4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESNc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cn1
InChIInChI=1S/C13H9BrClN5/c14-9-2-1-7(3-10(9)15)20-13-8-4-12(16)17-5-11(8)18-6-19-13/h1-6H,(H2,16,17)(H,18,19,20)
InChIKeyISNQGBDQNAVVOS-UHFFFAOYSA-N
XLogP3.77
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.61
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 141290878
4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 107618600
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
N-(7-bromo-6-chloroquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 171089475
7-[[(3R,6R)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-N-(4-bromo-3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 71085597
5-bromo-2-N-(3,4-dichlorophenyl)pyridine-2,3-diamine
CID 55188251
7-[[(3S,3aS,6R,6aS)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-N-(4-bromo-3-chlorophenyl)-6-methoxyquinazolin-4-amine
CID 66838506
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 107617966
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
(2R,3R,4S)-6-[4-(4-bromo-3-chloroanilino)-6-methoxyquinazolin-7-yl]hexane-1,2,3,4,6-pentol
CID 143702309
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
7-[[(6R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-(4-bromo-3-chloroanilino)quinazolin-6-ol
CID 70795175

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 131745853) is 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is Nc1cc2c(Nc3ccc(Br)c(Cl)c3)ncnc2cn1.
What is the InChIKey of 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is ISNQGBDQNAVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN5/c14-9-2-1-7(3-10(9)15)20-13-8-4-12(16)17-5-11(8)18-6-19-13/h1-6H,(H2,16,17)(H,18,19,20).
What are the key properties of 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 350.61 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 131745853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).