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

C23H26N4O2 — CID 13306043

IUPAC(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H26N4O2/c1-27-13-17(12-15-4-8-18(28-2)9-5-15)22-20(14-27)21(25-23(24)26-22)16-6-10-19(29-3)11-7-16/h4-12,21H,13-14H2,1-3H3,(H3,24,25,26)/b17-12+
InChIKeyPSCRXMMJRDLBFN-SFQUDFHCSA-N
MW390.49 g/mol
LogP2.95
Rot. Bonds4

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

(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine (PubChem CID 13306043) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine
PubChem CID13306043
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine
SMILESCOc1ccc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H26N4O2/c1-27-13-17(12-15-4-8-18(28-2)9-5-15)22-20(14-27)21(25-23(24)26-22)16-6-10-19(29-3)11-7-16/h4-12,21H,13-14H2,1-3H3,(H3,24,25,26)/b17-12+
InChIKeyPSCRXMMJRDLBFN-SFQUDFHCSA-N
XLogP2.95
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine (CID 13306043) is (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine is COc1ccc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2ccc(OC)cc2)cc1.
What is the InChIKey of (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is PSCRXMMJRDLBFN-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27-13-17(12-15-4-8-18(28-2)9-5-15)22-20(14-27)21(25-23(24)26-22)16-6-10-19(29-3)11-7-16/h4-12,21H,13-14H2,1-3H3,(H3,24,25,26)/b17-12+.
What are the key properties of (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine?
(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 13306043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).