(8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride

C21H19Br2ClF2N4 — CID 164616167

IUPAC(8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCN1CC2=C(NC(N)=NC2c2ccc(F)cc2Br)/C(=C/c2ccc(F)cc2Br)C1.Cl
InChIInChI=1S/C21H18Br2F2N4.ClH/c1-29-9-12(6-11-2-3-13(24)7-17(11)22)19-16(10-29)20(28-21(26)27-19)15-5-4-14(25)8-18(15)23;/h2-8,20H,9-10H2,1H3,(H3,26,27,28);1H/b12-6+;
InChIKeyLBHNSJXIPCCWCC-WXIWBVQFSA-N
MW560.67 g/mol
LogP5.15
Rot. Bonds2

About (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride

(8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride (PubChem CID 164616167) has the molecular formula C21H19Br2ClF2N4 and a molecular weight of 560.67 g/mol. Its IUPAC name is (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name(8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
PubChem CID164616167
Molecular FormulaC21H19Br2ClF2N4
Molecular Weight560.67 g/mol
Exact Mass557.96
IUPAC Name(8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCN1CC2=C(NC(N)=NC2c2ccc(F)cc2Br)/C(=C/c2ccc(F)cc2Br)C1.Cl
InChIInChI=1S/C21H18Br2F2N4.ClH/c1-29-9-12(6-11-2-3-13(24)7-17(11)22)19-16(10-29)20(28-21(26)27-19)15-5-4-14(25)8-18(15)23;/h2-8,20H,9-10H2,1H3,(H3,26,27,28);1H/b12-6+;
InChIKeyLBHNSJXIPCCWCC-WXIWBVQFSA-N
XLogP5.15
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.67
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The IUPAC name of (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride (CID 164616167) is (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride is CN1CC2=C(NC(N)=NC2c2ccc(F)cc2Br)/C(=C/c2ccc(F)cc2Br)C1.Cl.
What is the InChIKey of (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The InChIKey is LBHNSJXIPCCWCC-WXIWBVQFSA-N. The full InChI is InChI=1S/C21H18Br2F2N4.ClH/c1-29-9-12(6-11-2-3-13(24)7-17(11)22)19-16(10-29)20(28-21(26)27-19)15-5-4-14(25)8-18(15)23;/h2-8,20H,9-10H2,1H3,(H3,26,27,28);1H/b12-6+;.
What are the key properties of (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
(8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride has a molecular weight of 560.67 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-4-(2-bromo-4-fluorophenyl)-8-[(2-bromo-4-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 164616167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).