N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

C20H20N4O2 — CID 2842200

IUPACN-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(C=NNc2nc(C)cc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C20H20N4O2/c1-14-11-18(15-7-5-4-6-8-15)23-20(22-14)24-21-13-16-9-10-17(25-2)12-19(16)26-3/h4-13H,1-3H3,(H,22,23,24)
InChIKeyYJGGQDFQOICGQZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.92
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine

N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (PubChem CID 2842200) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
PubChem CID2842200
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(C=NNc2nc(C)cc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C20H20N4O2/c1-14-11-18(15-7-5-4-6-8-15)23-20(22-14)24-21-13-16-9-10-17(25-2)12-19(16)26-3/h4-13H,1-3H3,(H,22,23,24)
InChIKeyYJGGQDFQOICGQZ-UHFFFAOYSA-N
XLogP3.92
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinolin-4-amine
CID 3141487
N-[(4-butoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842180
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3965137
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 42995676
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110337134
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine (CID 2842200) is N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is COc1ccc(C=NNc2nc(C)cc(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is YJGGQDFQOICGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-11-18(15-7-5-4-6-8-15)23-20(22-14)24-21-13-16-9-10-17(25-2)12-19(16)26-3/h4-13H,1-3H3,(H,22,23,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine?
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine has a molecular weight of 348.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 2842200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).