N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine

C18H14Br2N4O2 — CID 139962103

IUPACN-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1cc2[nH]c3c(Nc4cc(Br)ccc4Br)ncnc3c2cc1OC
InChIInChI=1S/C18H14Br2N4O2/c1-25-14-6-10-12(7-15(14)26-2)23-17-16(10)21-8-22-18(17)24-13-5-9(19)3-4-11(13)20/h3-8,23H,1-2H3,(H,21,22,24)
InChIKeyITQCMEYZEDAKBR-UHFFFAOYSA-N
MW478.14 g/mol
LogP5.40
Rot. Bonds4

About N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine

N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 139962103) has the molecular formula C18H14Br2N4O2 and a molecular weight of 478.14 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID139962103
Molecular FormulaC18H14Br2N4O2
Molecular Weight478.14 g/mol
Exact Mass475.95
IUPAC NameN-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1cc2[nH]c3c(Nc4cc(Br)ccc4Br)ncnc3c2cc1OC
InChIInChI=1S/C18H14Br2N4O2/c1-25-14-6-10-12(7-15(14)26-2)23-17-16(10)21-8-22-18(17)24-13-5-9(19)3-4-11(13)20/h3-8,23H,1-2H3,(H,21,22,24)
InChIKeyITQCMEYZEDAKBR-UHFFFAOYSA-N
XLogP5.40
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.14
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 3731179
N-(2,6-difluorophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 139962098
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine
CID 24767185
N-(5-methoxy-2-methyl-4-nitrophenyl)-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 3791951
7,8-dimethoxy-4-pyrrolidin-1-yl-5H-pyrimido[5,4-b]indole
CID 942038
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
7,8-dimethoxy-4-(2-phenyl-4,5-dihydroimidazol-1-yl)-5H-pyrimido[5,4-b]indole
CID 4293062
N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80902212

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine (CID 139962103) is N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine is COc1cc2[nH]c3c(Nc4cc(Br)ccc4Br)ncnc3c2cc1OC.
What is the InChIKey of N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is ITQCMEYZEDAKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N4O2/c1-25-14-6-10-12(7-15(14)26-2)23-17-16(10)21-8-22-18(17)24-13-5-9(19)3-4-11(13)20/h3-8,23H,1-2H3,(H,21,22,24).
What are the key properties of N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine?
N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 478.14 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 139962103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).