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

C27H35ClN4O6 — CID 164625217

IUPAC(8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCOc1cc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.Cl
InChIInChI=1S/C27H34N4O6.ClH/c1-31-13-17(8-15-9-19(32-2)25(36-6)20(10-15)33-3)24-18(14-31)23(29-27(28)30-24)16-11-21(34-4)26(37-7)22(12-16)35-5;/h8-12,23H,13-14H2,1-7H3,(H3,28,29,30);1H/b17-8+;
InChIKeyRMUILRMROAFUKD-XIDBHWPPSA-N
MW547.05 g/mol
LogP3.40
Rot. Bonds8

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

(8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride (PubChem CID 164625217) has the molecular formula C27H35ClN4O6 and a molecular weight of 547.05 g/mol. Its IUPAC name is (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name(8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
PubChem CID164625217
Molecular FormulaC27H35ClN4O6
Molecular Weight547.05 g/mol
Exact Mass546.22
IUPAC Name(8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
SMILESCOc1cc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.Cl
InChIInChI=1S/C27H34N4O6.ClH/c1-31-13-17(8-15-9-19(32-2)25(36-6)20(10-15)33-3)24-18(14-31)23(29-27(28)30-24)16-11-21(34-4)26(37-7)22(12-16)35-5;/h8-12,23H,13-14H2,1-7H3,(H3,28,29,30);1H/b17-8+;
InChIKeyRMUILRMROAFUKD-XIDBHWPPSA-N
XLogP3.40
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.05
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(9E)-5-(3,4,5-trimethoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969250
(5S)-5-benzyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 16682583
(5S)-5-phenyl-1-[3-(3,4,5-trimethoxyphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 16682599
(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
(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164627137
(8E)-4-(3-methoxyphenyl)-8-[(3-methoxyphenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164628534
(9E)-3-methyl-5-(3,4,5-trimethoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
CID 56969473
6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10641599
(8E)-6-benzyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
CID 54581932
5-[(3,4,5-Trimethoxyphenyl)methyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine;hydrochloride
CID 56658458
6,6-Dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 56668840
(8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione;hydrochloride
CID 5468391

Frequently Asked Questions

What is the IUPAC name of (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The IUPAC name of (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride (CID 164625217) is (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride is COc1cc(/C=C2\CN(C)CC3=C2NC(N)=NC3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.Cl.
What is the InChIKey of (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
The InChIKey is RMUILRMROAFUKD-XIDBHWPPSA-N. The full InChI is InChI=1S/C27H34N4O6.ClH/c1-31-13-17(8-15-9-19(32-2)25(36-6)20(10-15)33-3)24-18(14-31)23(29-27(28)30-24)16-11-21(34-4)26(37-7)22(12-16)35-5;/h8-12,23H,13-14H2,1-7H3,(H3,28,29,30);1H/b17-8+;.
What are the key properties of (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride?
(8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride has a molecular weight of 547.05 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-6-methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 164625217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).