6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine

C23H21BrN6O — CID 59325634

IUPAC6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine
SMILESBrc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1
InChIInChI=1S/C23H21BrN6O/c24-20-1-2-22-18(9-20)13-27-23(29-22)28-21-8-16(14-30-3-5-31-6-4-30)7-17(10-21)19-11-25-15-26-12-19/h1-2,7-13,15H,3-6,14H2,(H,27,28,29)
InChIKeySTXFPJAPLABPGR-UHFFFAOYSA-N
MW477.37 g/mol
LogP4.43
Rot. Bonds5

About 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine

6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine (PubChem CID 59325634) has the molecular formula C23H21BrN6O and a molecular weight of 477.37 g/mol. Its IUPAC name is 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine
PubChem CID59325634
Molecular FormulaC23H21BrN6O
Molecular Weight477.37 g/mol
Exact Mass476.10
IUPAC Name6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine
SMILESBrc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1
InChIInChI=1S/C23H21BrN6O/c24-20-1-2-22-18(9-20)13-27-23(29-22)28-21-8-16(14-30-3-5-31-6-4-30)7-17(10-21)19-11-25-15-26-12-19/h1-2,7-13,15H,3-6,14H2,(H,27,28,29)
InChIKeySTXFPJAPLABPGR-UHFFFAOYSA-N
XLogP4.43
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine?
The IUPAC name of 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine (CID 59325634) is 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine?
The canonical SMILES for 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine is Brc1ccc2nc(Nc3cc(CN4CCOCC4)cc(-c4cncnc4)c3)ncc2c1.
What is the InChIKey of 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine?
The InChIKey is STXFPJAPLABPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN6O/c24-20-1-2-22-18(9-20)13-27-23(29-22)28-21-8-16(14-30-3-5-31-6-4-30)7-17(10-21)19-11-25-15-26-12-19/h1-2,7-13,15H,3-6,14H2,(H,27,28,29).
What are the key properties of 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine?
6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine has a molecular weight of 477.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(morpholin-4-ylmethyl)-5-pyrimidin-5-ylphenyl]quinazolin-2-amine is sourced from PubChem (CID 59325634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).