4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine

C13H15N3O — CID 82391060

IUPAC4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
SMILESCOc1ccc(C)cc1-c1ncnc(C)c1N
InChIInChI=1S/C13H15N3O/c1-8-4-5-11(17-3)10(6-8)13-12(14)9(2)15-7-16-13/h4-7H,14H2,1-3H3
InChIKeyXMDNWSDKCMZWOW-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.35
Rot. Bonds2

About 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine

4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine (PubChem CID 82391060) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
PubChem CID82391060
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine
SMILESCOc1ccc(C)cc1-c1ncnc(C)c1N
InChIInChI=1S/C13H15N3O/c1-8-4-5-11(17-3)10(6-8)13-12(14)9(2)15-7-16-13/h4-7H,14H2,1-3H3
InChIKeyXMDNWSDKCMZWOW-UHFFFAOYSA-N
XLogP2.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-6-methylpyrimidin-5-amine
CID 82390103
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carbaldehyde
CID 116857701
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
5-(2-methoxy-5-methylphenyl)-1,2-thiazol-3-amine
CID 83910475
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
5-(2-methoxy-5-methylphenyl)-1H-imidazol-4-amine
CID 82469801
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 28709823
4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 62505793
2-(2,5-dimethoxyphenyl)-4-methylpyridin-3-amine
CID 114051131
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine (CID 82391060) is 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine is COc1ccc(C)cc1-c1ncnc(C)c1N.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine?
The InChIKey is XMDNWSDKCMZWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-4-5-11(17-3)10(6-8)13-12(14)9(2)15-7-16-13/h4-7H,14H2,1-3H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine?
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine has a molecular weight of 229.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 82391060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).