2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine

C12H13N3O — CID 116795272

IUPAC2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nccc(N)n2)c(C)c1
InChIInChI=1S/C12H13N3O/c1-8-7-9(16-2)3-4-10(8)12-14-6-5-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyUYCWFAFGXYNWQM-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.04
Rot. Bonds2

About 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine

2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine (PubChem CID 116795272) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
PubChem CID116795272
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nccc(N)n2)c(C)c1
InChIInChI=1S/C12H13N3O/c1-8-7-9(16-2)3-4-10(8)12-14-6-5-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyUYCWFAFGXYNWQM-UHFFFAOYSA-N
XLogP2.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62202129
2-(2,3-difluoro-4-methylphenyl)pyrimidin-4-amine
CID 107514061
5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 22248987
2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine
CID 116797544
3-(4-methoxy-2-methylphenyl)-5-methylpyridin-2-amine
CID 65318561
3-(7-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
CID 122443315
2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine
CID 116797983
2-(4-methoxy-2-methylphenyl)-5-propylpyrimidine
CID 56711184
2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
hydron;4-methoxypyridin-2-amine
CID 131852579
2-(2-fluoro-4-methoxyphenyl)-4-methylpyridin-3-amine
CID 114051155

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine (CID 116795272) is 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine is COc1ccc(-c2nccc(N)n2)c(C)c1.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
The InChIKey is UYCWFAFGXYNWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-7-9(16-2)3-4-10(8)12-14-6-5-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine?
2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine has a molecular weight of 215.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 116795272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).