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

C25H31ClN4O4 — CID 164625220

IUPAC(8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCOc1cc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2cc(OC)cc(OC)c2)cc(OC)c1.Cl
InChIInChI=1S/C25H30N4O4.ClH/c1-29-13-17(6-15-7-18(30-2)11-19(8-15)31-3)24-22(14-29)23(27-25(26)28-24)16-9-20(32-4)12-21(10-16)33-5;/h6-12,23H,13-14H2,1-5H3,(H3,26,27,28);1H/b17-6+;
InChIKeyYVCJEKIAJIOOMW-ZDEOBDHWSA-N
MW487.00 g/mol
LogP3.38
Rot. Bonds6

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

(8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride (PubChem CID 164625220) has the molecular formula C25H31ClN4O4 and a molecular weight of 487.00 g/mol. Its IUPAC name is (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name(8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
PubChem CID164625220
Molecular FormulaC25H31ClN4O4
Molecular Weight487.00 g/mol
Exact Mass486.20
IUPAC Name(8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCOc1cc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2cc(OC)cc(OC)c2)cc(OC)c1.Cl
InChIInChI=1S/C25H30N4O4.ClH/c1-29-13-17(6-15-7-18(30-2)11-19(8-15)31-3)24-22(14-29)23(27-25(26)28-24)16-9-20(32-4)12-21(10-16)33-5;/h6-12,23H,13-14H2,1-5H3,(H3,26,27,28);1H/b17-6+;
InChIKeyYVCJEKIAJIOOMW-ZDEOBDHWSA-N
XLogP3.38
TPSA90.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The IUPAC name of (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride (CID 164625220) is (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride is COc1cc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2cc(OC)cc(OC)c2)cc(OC)c1.Cl.
What is the InChIKey of (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The InChIKey is YVCJEKIAJIOOMW-ZDEOBDHWSA-N. The full InChI is InChI=1S/C25H30N4O4.ClH/c1-29-13-17(6-15-7-18(30-2)11-19(8-15)31-3)24-22(14-29)23(27-25(26)28-24)16-9-20(32-4)12-21(10-16)33-5;/h6-12,23H,13-14H2,1-5H3,(H3,26,27,28);1H/b17-6+;.
What are the key properties of (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
(8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride has a molecular weight of 487.00 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-4-(3,5-dimethoxyphenyl)-8-[(3,5-dimethoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 164625220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).