6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine

C19H20BrN5 — CID 69018410

IUPAC6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2cc(-c3cncc(Br)c3)ccc2n1
InChIInChI=1S/C19H20BrN5/c20-14-8-13(10-22-11-14)12-6-7-17-16(9-12)18(25-19(21)24-17)23-15-4-2-1-3-5-15/h6-11,15H,1-5H2,(H3,21,23,24,25)
InChIKeyDQMZWXLJHWJHAC-UHFFFAOYSA-N
MW398.31 g/mol
LogP4.78
Rot. Bonds3

About 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine

6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine (PubChem CID 69018410) has the molecular formula C19H20BrN5 and a molecular weight of 398.31 g/mol. Its IUPAC name is 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
PubChem CID69018410
Molecular FormulaC19H20BrN5
Molecular Weight398.31 g/mol
Exact Mass397.09
IUPAC Name6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2cc(-c3cncc(Br)c3)ccc2n1
InChIInChI=1S/C19H20BrN5/c20-14-8-13(10-22-11-14)12-6-7-17-16(9-12)18(25-19(21)24-17)23-15-4-2-1-3-5-15/h6-11,15H,1-5H2,(H3,21,23,24,25)
InChIKeyDQMZWXLJHWJHAC-UHFFFAOYSA-N
XLogP4.78
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine?
The IUPAC name of 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine (CID 69018410) is 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine.
What is the SMILES notation for 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine?
The canonical SMILES for 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine is Nc1nc(NC2CCCCC2)c2cc(-c3cncc(Br)c3)ccc2n1.
What is the InChIKey of 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine?
The InChIKey is DQMZWXLJHWJHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5/c20-14-8-13(10-22-11-14)12-6-7-17-16(9-12)18(25-19(21)24-17)23-15-4-2-1-3-5-15/h6-11,15H,1-5H2,(H3,21,23,24,25).
What are the key properties of 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine?
6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine has a molecular weight of 398.31 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-3-pyridinyl)-4-N-cyclohexylquinazoline-2,4-diamine is sourced from PubChem (CID 69018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).