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

C21H18Cl4N4 — CID 102599145

IUPAC(8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCN1CC2=C(NC(N)=NC2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C21H18Cl4N4/c1-29-9-12(6-11-2-3-13(22)7-17(11)24)19-16(10-29)20(28-21(26)27-19)15-5-4-14(23)8-18(15)25/h2-8,20H,9-10H2,1H3,(H3,26,27,28)/b12-6+
InChIKeyASDAXVXBSDMMJQ-WUXMJOGZSA-N
MW468.22 g/mol
LogP5.54
Rot. Bonds2

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

(8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 102599145) has the molecular formula C21H18Cl4N4 and a molecular weight of 468.22 g/mol. Its IUPAC name is (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name(8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID102599145
Molecular FormulaC21H18Cl4N4
Molecular Weight468.22 g/mol
Exact Mass466.03
IUPAC Name(8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCN1CC2=C(NC(N)=NC2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C21H18Cl4N4/c1-29-9-12(6-11-2-3-13(22)7-17(11)24)19-16(10-29)20(28-21(26)27-19)15-5-4-14(23)8-18(15)25/h2-8,20H,9-10H2,1H3,(H3,26,27,28)/b12-6+
InChIKeyASDAXVXBSDMMJQ-WUXMJOGZSA-N
XLogP5.54
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.22
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 102599145) is (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine is CN1CC2=C(NC(N)=NC2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is ASDAXVXBSDMMJQ-WUXMJOGZSA-N. The full InChI is InChI=1S/C21H18Cl4N4/c1-29-9-12(6-11-2-3-13(22)7-17(11)24)19-16(10-29)20(28-21(26)27-19)15-5-4-14(23)8-18(15)25/h2-8,20H,9-10H2,1H3,(H3,26,27,28)/b12-6+.
What are the key properties of (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
(8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 468.22 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-4-(2,4-dichlorophenyl)-8-[(2,4-dichlorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 102599145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).