5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine

C12H13N3O — CID 83821536

IUPAC5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine
SMILESCOc1cnc(-c2cccc(C)c2)nc1N
InChIInChI=1S/C12H13N3O/c1-8-4-3-5-9(6-8)12-14-7-10(16-2)11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyYQWVKHBMQLNIEQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.04
Rot. Bonds2

About 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine

5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 83821536) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine
PubChem CID83821536
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine
SMILESCOc1cnc(-c2cccc(C)c2)nc1N
InChIInChI=1S/C12H13N3O/c1-8-4-3-5-9(6-8)12-14-7-10(16-2)11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyYQWVKHBMQLNIEQ-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

5-methoxy-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 83823920
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
[4-methoxy-2-(3-methylphenyl)pyrimidin-5-yl]methanamine
CID 83893690
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 134408534
4-methoxy-3-(3-methylphenyl)aniline
CID 39243259
2-methyl-5-(3-methylphenyl)pyrimidin-4-amine
CID 62899429
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
5-bromo-2-(4-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 107922895
2-(3-ethoxyphenyl)-5-iodopyrimidin-4-amine
CID 66302482

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine (CID 83821536) is 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine is COc1cnc(-c2cccc(C)c2)nc1N.
What is the InChIKey of 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is YQWVKHBMQLNIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-4-3-5-9(6-8)12-14-7-10(16-2)11(13)15-12/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine?
5-methoxy-2-(3-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 5-methoxy-2-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 83821536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).