N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine

C14H11BrN4O — CID 5328254

IUPACN-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
InChIInChI=1S/C14H11BrN4O/c1-20-13-6-12-11(7-16-13)14(18-8-17-12)19-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,17,18,19)
InChIKeyVBKYHRRXRGHYHL-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.54
Rot. Bonds3

About N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine

N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine (PubChem CID 5328254) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine
PubChem CID5328254
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC NameN-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
InChIInChI=1S/C14H11BrN4O/c1-20-13-6-12-11(7-16-13)14(18-8-17-12)19-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,17,18,19)
InChIKeyVBKYHRRXRGHYHL-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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine (CID 5328254) is N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine is COc1cc2ncnc(Nc3cccc(Br)c3)c2cn1.
What is the InChIKey of N-(3-bromophenyl)-7-methoxypyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is VBKYHRRXRGHYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-20-13-6-12-11(7-16-13)14(18-8-17-12)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)-7-methoxypyrido[4,3-d]pyrimidin-4-amine?
N-(3-bromophenyl)-7-methoxypyrido[4,3-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)-7-methoxypyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5328254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).