4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine

C13H15N3O — CID 83893674

IUPAC4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine
SMILESCNc1cnc(-c2ccccc2C)nc1OC
InChIInChI=1S/C13H15N3O/c1-9-6-4-5-7-10(9)12-15-8-11(14-2)13(16-12)17-3/h4-8,14H,1-3H3
InChIKeyVTMUATIIBOFCCO-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.50
Rot. Bonds3

About 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine

4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine (PubChem CID 83893674) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine
PubChem CID83893674
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine
SMILESCNc1cnc(-c2ccccc2C)nc1OC
InChIInChI=1S/C13H15N3O/c1-9-6-4-5-7-10(9)12-15-8-11(14-2)13(16-12)17-3/h4-8,14H,1-3H3
InChIKeyVTMUATIIBOFCCO-UHFFFAOYSA-N
XLogP2.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-methoxy-N-methylpyrimidin-5-amine
CID 83895493
N'-[4-methyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212333
2-N,4-N-dimethyl-6-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 154968468
N-methyl-4-(2-methylphenyl)-2-methylsulfanylpyrimidin-5-amine
CID 23512569
N-methyl-4-(2-methylphenoxy)-2-methylsulfanylpyrimidin-5-amine
CID 22674310
1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone
CID 84782300
2-(2-methylphenyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207088
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231244
N'-[2-(2-methylphenyl)-4-phenylpyrimidin-5-yl]propane-1,3-diamine
CID 117211758
2-fluoro-N-methyl-3-(2-methylphenyl)aniline
CID 144912363
2-(2-methoxy-3-methylphenyl)-5-methylpyrimidine
CID 138713677
4-(2-methylphenyl)-1,3,5-triazin-2-amine
CID 63868713

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine?
The IUPAC name of 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine (CID 83893674) is 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine.
What is the SMILES notation for 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine?
The canonical SMILES for 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine is CNc1cnc(-c2ccccc2C)nc1OC.
What is the InChIKey of 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine?
The InChIKey is VTMUATIIBOFCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-6-4-5-7-10(9)12-15-8-11(14-2)13(16-12)17-3/h4-8,14H,1-3H3.
What are the key properties of 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine?
4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine has a molecular weight of 229.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-2-(2-methylphenyl)pyrimidin-5-amine is sourced from PubChem (CID 83893674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).