N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine

C20H19N3O2 — CID 3046495

IUPACN-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine
SMILESCOc1ccc(NC2=Nc3cccc4cccc(c34)N2C)cc1OC
InChIInChI=1S/C20H19N3O2/c1-23-16-9-5-7-13-6-4-8-15(19(13)16)22-20(23)21-14-10-11-17(24-2)18(12-14)25-3/h4-12H,1-3H3,(H,21,22)
InChIKeyUCFPVWOCVMKGNZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.41
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine

N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine (PubChem CID 3046495) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine
PubChem CID3046495
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine
SMILESCOc1ccc(NC2=Nc3cccc4cccc(c34)N2C)cc1OC
InChIInChI=1S/C20H19N3O2/c1-23-16-9-5-7-13-6-4-8-15(19(13)16)22-20(23)21-14-10-11-17(24-2)18(12-14)25-3/h4-12H,1-3H3,(H,21,22)
InChIKeyUCFPVWOCVMKGNZ-UHFFFAOYSA-N
XLogP4.41
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine (CID 3046495) is N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine is COc1ccc(NC2=Nc3cccc4cccc(c34)N2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine?
The InChIKey is UCFPVWOCVMKGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23-16-9-5-7-13-6-4-8-15(19(13)16)22-20(23)21-14-10-11-17(24-2)18(12-14)25-3/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine?
N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine has a molecular weight of 333.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-methylperimidin-2-amine is sourced from PubChem (CID 3046495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).