N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine

C14H11BrN4O — CID 5328262

IUPACN-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C14H11BrN4O/c1-20-13-6-11-12(7-16-13)17-8-18-14(11)19-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,17,18,19)
InChIKeyODVAMUDYBBPTAL-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.54
Rot. Bonds3

About N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine

N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine (PubChem CID 5328262) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine
PubChem CID5328262
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine
SMILESCOc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C14H11BrN4O/c1-20-13-6-11-12(7-16-13)17-8-18-14(11)19-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,17,18,19)
InChIKeyODVAMUDYBBPTAL-UHFFFAOYSA-N
XLogP3.54
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine
CID 5328254
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine
CID 5328279
N-(3-bromophenyl)-6-methoxyquinazolin-4-amine
CID 5328043
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
N-(3-bromophenyl)-7-methoxypyrido[2,3-d]pyrimidin-4-amine
CID 5328271
N-(3-bromophenyl)-5-methoxyquinazolin-4-amine
CID 5328040
N-(3-bromophenyl)-7-methoxyquinazolin-4-amine
CID 5328046
4-N-(2-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328060
4-N-[(3-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328088
N2-(3-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9902671

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine (CID 5328262) is N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine is COc1cc2c(Nc3cccc(Br)c3)ncnc2cn1.
What is the InChIKey of N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is ODVAMUDYBBPTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-20-13-6-11-12(7-16-13)17-8-18-14(11)19-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine?
N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 331.17 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 5328262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).