N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine

C14H14BrFN4O — CID 122282510

IUPACN-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESFc1cc(Br)ccc1Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H14BrFN4O/c15-10-1-2-12(11(16)7-10)19-13-8-14(18-9-17-13)20-3-5-21-6-4-20/h1-2,7-9H,3-6H2,(H,17,18,19)
InChIKeySIBLOSCMGQCIJB-UHFFFAOYSA-N
MW353.20 g/mol
LogP2.96
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine

N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 122282510) has the molecular formula C14H14BrFN4O and a molecular weight of 353.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID122282510
Molecular FormulaC14H14BrFN4O
Molecular Weight353.20 g/mol
Exact Mass352.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine
SMILESFc1cc(Br)ccc1Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C14H14BrFN4O/c15-10-1-2-12(11(16)7-10)19-13-8-14(18-9-17-13)20-3-5-21-6-4-20/h1-2,7-9H,3-6H2,(H,17,18,19)
InChIKeySIBLOSCMGQCIJB-UHFFFAOYSA-N
XLogP2.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine (CID 122282510) is N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine is Fc1cc(Br)ccc1Nc1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is SIBLOSCMGQCIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN4O/c15-10-1-2-12(11(16)7-10)19-13-8-14(18-9-17-13)20-3-5-21-6-4-20/h1-2,7-9H,3-6H2,(H,17,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine?
N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 353.20 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 122282510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).