N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

C19H19N3O — CID 117079007

IUPACN-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)cc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O/c1-14-12-18(20-13-15-6-4-3-5-7-15)22-19(21-14)16-8-10-17(23-2)11-9-16/h3-12H,13H2,1-2H3,(H,20,21,22)
InChIKeyYLLAFUTUWRVWDI-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.07
Rot. Bonds5

About N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine

N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (PubChem CID 117079007) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
PubChem CID117079007
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C)cc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C19H19N3O/c1-14-12-18(20-13-15-6-4-3-5-7-15)22-19(21-14)16-8-10-17(23-2)11-9-16/h3-12H,13H2,1-2H3,(H,20,21,22)
InChIKeyYLLAFUTUWRVWDI-UHFFFAOYSA-N
XLogP4.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
2-(4-methoxyphenyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117088632
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
N-benzyl-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 46173648
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[(4-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidin-4-amine
CID 112880936
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
N-benzyl-4,6-dimethylpyridin-2-amine
CID 14593016
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine (CID 117079007) is N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is COc1ccc(-c2nc(C)cc(NCc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is YLLAFUTUWRVWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-12-18(20-13-15-6-4-3-5-7-15)22-19(21-14)16-8-10-17(23-2)11-9-16/h3-12H,13H2,1-2H3,(H,20,21,22).
What are the key properties of N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine?
N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine has a molecular weight of 305.38 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 117079007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).