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

C23H27ClN4O2 — CID 164621118

IUPAC(8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCOc1ccccc1/C=C1\CN(C)CC2=C1NC(N)=NC2c1ccccc1OC.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-27-13-16(12-15-8-4-6-10-19(15)28-2)21-18(14-27)22(26-23(24)25-21)17-9-5-7-11-20(17)29-3;/h4-12,22H,13-14H2,1-3H3,(H3,24,25,26);1H/b16-12+;
InChIKeyCNODTGAVPYHTGO-CLNHMMGSSA-N
MW426.95 g/mol
LogP3.37
Rot. Bonds4

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

(8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride (PubChem CID 164621118) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name(8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
PubChem CID164621118
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name(8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCOc1ccccc1/C=C1\CN(C)CC2=C1NC(N)=NC2c1ccccc1OC.Cl
InChIInChI=1S/C23H26N4O2.ClH/c1-27-13-16(12-15-8-4-6-10-19(15)28-2)21-18(14-27)22(26-23(24)25-21)17-9-5-7-11-20(17)29-3;/h4-12,22H,13-14H2,1-3H3,(H3,24,25,26);1H/b16-12+;
InChIKeyCNODTGAVPYHTGO-CLNHMMGSSA-N
XLogP3.37
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)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-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The IUPAC name of (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride (CID 164621118) is (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride is COc1ccccc1/C=C1\CN(C)CC2=C1NC(N)=NC2c1ccccc1OC.Cl.
What is the InChIKey of (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The InChIKey is CNODTGAVPYHTGO-CLNHMMGSSA-N. The full InChI is InChI=1S/C23H26N4O2.ClH/c1-27-13-16(12-15-8-4-6-10-19(15)28-2)21-18(14-27)22(26-23(24)25-21)17-9-5-7-11-20(17)29-3;/h4-12,22H,13-14H2,1-3H3,(H3,24,25,26);1H/b16-12+;.
What are the key properties of (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
(8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride has a molecular weight of 426.95 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 164621118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).