5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine

C14H15BrN4O — CID 62900378

IUPAC5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESNc1nc(N2CCOCC2)ncc1-c1ccccc1Br
InChIInChI=1S/C14H15BrN4O/c15-12-4-2-1-3-10(12)11-9-17-14(18-13(11)16)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H2,16,17,18)
InChIKeyMJUASPSQIXSSTJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.32
Rot. Bonds2

About 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine

5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 62900378) has the molecular formula C14H15BrN4O and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID62900378
Molecular FormulaC14H15BrN4O
Molecular Weight335.20 g/mol
Exact Mass334.04
IUPAC Name5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine
SMILESNc1nc(N2CCOCC2)ncc1-c1ccccc1Br
InChIInChI=1S/C14H15BrN4O/c15-12-4-2-1-3-10(12)11-9-17-14(18-13(11)16)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H2,16,17,18)
InChIKeyMJUASPSQIXSSTJ-UHFFFAOYSA-N
XLogP2.32
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine (CID 62900378) is 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine is Nc1nc(N2CCOCC2)ncc1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is MJUASPSQIXSSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-12-4-2-1-3-10(12)11-9-17-14(18-13(11)16)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H2,16,17,18).
What are the key properties of 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine?
5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 335.20 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 62900378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).