N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine

C14H11BrN4O — CID 5328279

IUPACN-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
InChIInChI=1S/C14H11BrN4O/c1-20-12-6-5-11-13(19-12)14(17-8-16-11)18-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17,18)
InChIKeyZXEVFSPNUIEQJL-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.54
Rot. Bonds3

About N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine

N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine (PubChem CID 5328279) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine
PubChem CID5328279
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine
SMILESCOc1ccc2ncnc(Nc3cccc(Br)c3)c2n1
InChIInChI=1S/C14H11BrN4O/c1-20-12-6-5-11-13(19-12)14(17-8-16-11)18-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17,18)
InChIKeyZXEVFSPNUIEQJL-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
N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine
CID 5328262
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
N-(3-bromophenyl)-6-methoxyquinazolin-4-amine
CID 5328043
N-(3-bromophenyl)-7-methoxypyrido[2,3-d]pyrimidin-4-amine
CID 5328271
N-(3-bromophenyl)-7-methoxyquinazolin-4-amine
CID 5328046
6-[(4-Methoxyanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457776
N-(4-methoxyphenyl)-N,2-dimethylpteridin-4-amine
CID 46883988
4-[5-Bromo-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
CID 59548341
6-(3-(6-Methoxypyridin-3-ylamino)pyrazin-2-yl)-2-methylpyrimidin-4-amine
CID 59548402
6-[(3-Methoxyanilino)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457748
6-{[(4-Methoxyphenyl)(methyl)amino]methyl}pyrido[3,2-d]pyrimidine-2,4-diamine
CID 457752

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine (CID 5328279) is N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine is COc1ccc2ncnc(Nc3cccc(Br)c3)c2n1.
What is the InChIKey of N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is ZXEVFSPNUIEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-20-12-6-5-11-13(19-12)14(17-8-16-11)18-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,16,17,18).
What are the key properties of N-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-4-amine?
N-(3-bromophenyl)-6-methoxypyrido[3,2-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[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 5328279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).