4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine

C19H15BrN6O — CID 141290878

IUPAC4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESNc1cc2c(Nc3ccc(OCc4ccccn4)c(Br)c3)ncnc2cn1
InChIInChI=1S/C19H15BrN6O/c20-15-7-12(4-5-17(15)27-10-13-3-1-2-6-22-13)26-19-14-8-18(21)23-9-16(14)24-11-25-19/h1-9,11H,10H2,(H2,21,23)(H,24,25,26)
InChIKeyJAJADFZQXZYDOB-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.09
Rot. Bonds5

About 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine

4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 141290878) has the molecular formula C19H15BrN6O and a molecular weight of 423.27 g/mol. Its IUPAC name is 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID141290878
Molecular FormulaC19H15BrN6O
Molecular Weight423.27 g/mol
Exact Mass422.05
IUPAC Name4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESNc1cc2c(Nc3ccc(OCc4ccccn4)c(Br)c3)ncnc2cn1
InChIInChI=1S/C19H15BrN6O/c20-15-7-12(4-5-17(15)27-10-13-3-1-2-6-22-13)26-19-14-8-18(21)23-9-16(14)24-11-25-19/h1-9,11H,10H2,(H2,21,23)(H,24,25,26)
InChIKeyJAJADFZQXZYDOB-UHFFFAOYSA-N
XLogP4.09
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine with MolForge

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Related Compounds

(E)-N-[4-[3-bromo-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]pent-2-enamide
CID 118700641
4-N-(4-bromo-3-chlorophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 131745853
6-N,6-N-dimethyl-4-N-[4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 22112825
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoroquinazolin-4-amine
CID 141145307
[(E)-4-[[4-[3-bromo-4-(pyridin-2-ylmethoxy)anilino]pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-[(2,3-dimethyl-5-nitroimidazol-4-yl)methyl]-dimethylazanium bromide
CID 51035587
(3S)-3-[6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-7-yl]oxypyrrolidine-1-carboxylic acid
CID 146469908
N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-3-carboxamide
CID 11554402
5-[(2R)-2-aminopropoxy]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]quinazolin-4-amine
CID 69058267
(2S)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]azetidine-2-carboxamide
CID 11518265
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanamide
CID 11568615
5-[3-(aminomethyl)-1,2-oxazol-5-yl]-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]pyrimidin-4-amine
CID 142709238
(1R)-1-[(5S)-2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-6-yl]amino]-5-methyl-4H-1,3-oxazol-5-yl]ethanol
CID 59835194

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine (CID 141290878) is 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine is Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Br)c3)ncnc2cn1.
What is the InChIKey of 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is JAJADFZQXZYDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O/c20-15-7-12(4-5-17(15)27-10-13-3-1-2-6-22-13)26-19-14-8-18(21)23-9-16(14)24-11-25-19/h1-9,11H,10H2,(H2,21,23)(H,24,25,26).
What are the key properties of 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine?
4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 423.27 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-bromo-4-(pyridin-2-ylmethoxy)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 141290878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).