1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

C15H19N3O — CID 102923788

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H19N3O/c1-10-6-14(19-4)11(2)5-13(10)15(16-3)12-7-17-9-18-8-12/h5-9,15-16H,1-4H3
InChIKeyYKVGWYGZMMNUQD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.41
Rot. Bonds4

About 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 102923788) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID102923788
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)c1cc(C)c(OC)cc1C
InChIInChI=1S/C15H19N3O/c1-10-6-14(19-4)11(2)5-13(10)15(16-3)12-7-17-9-18-8-12/h5-9,15-16H,1-4H3
InChIKeyYKVGWYGZMMNUQD-UHFFFAOYSA-N
XLogP2.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-pyridinyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626726
1-(2,5-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827566
N-methyl-1-(5-methyl-3-pyridinyl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155131
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103524439
1-(2-iodophenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032769
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105179103
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032785
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105032973
[(4-methoxy-2,5-dimethylphenyl)-pyridazin-4-ylmethyl]hydrazine
CID 105332991
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105179011
1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909230
1-(2-methoxy-3-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 105118973

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 102923788) is 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)c1cc(C)c(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is YKVGWYGZMMNUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-6-14(19-4)11(2)5-13(10)15(16-3)12-7-17-9-18-8-12/h5-9,15-16H,1-4H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 102923788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).