(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine

C15H19N3O — CID 103433834

IUPAC(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCOc1c(C(N)c2ccnc(C)n2)ccc(C)c1C
InChIInChI=1S/C15H19N3O/c1-9-5-6-12(15(19-4)10(9)2)14(16)13-7-8-17-11(3)18-13/h5-8,14H,16H2,1-4H3
InChIKeySNMMEOBAKOOUHA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.46
Rot. Bonds3

About (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine

(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 103433834) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
PubChem CID103433834
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
SMILESCOc1c(C(N)c2ccnc(C)n2)ccc(C)c1C
InChIInChI=1S/C15H19N3O/c1-9-5-6-12(15(19-4)10(9)2)14(16)13-7-8-17-11(3)18-13/h5-8,14H,16H2,1-4H3
InChIKeySNMMEOBAKOOUHA-UHFFFAOYSA-N
XLogP2.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 103433515
(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977950
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530269
(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 103435543
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
(2-methylpyrimidin-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 115530132
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115530155
4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 103435266
(2,3-difluorophenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530464
(2-chloro-4-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 106858983

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine (CID 103433834) is (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine is COc1c(C(N)c2ccnc(C)n2)ccc(C)c1C.
What is the InChIKey of (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is SNMMEOBAKOOUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-6-12(15(19-4)10(9)2)14(16)13-7-8-17-11(3)18-13/h5-8,14H,16H2,1-4H3.
What are the key properties of (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine?
(2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3,4-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 103433834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).