4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine

C15H19N3O — CID 82300071

IUPAC4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(C(C)C)ccc1-c1cc(C)nc(N)n1
InChIInChI=1S/C15H19N3O/c1-9(2)11-5-6-12(14(8-11)19-4)13-7-10(3)17-15(16)18-13/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyLOKDUTQHAJUXOW-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.17
Rot. Bonds3

About 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine

4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine (PubChem CID 82300071) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
PubChem CID82300071
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1cc(C(C)C)ccc1-c1cc(C)nc(N)n1
InChIInChI=1S/C15H19N3O/c1-9(2)11-5-6-12(14(8-11)19-4)13-7-10(3)17-15(16)18-13/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyLOKDUTQHAJUXOW-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
CID 82295339
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
5-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-oxazol-2-amine
CID 116831725
2-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864511
4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 95474541
6-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridazin-3-amine
CID 82483067
5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole
CID 116856768
6-(2-methoxy-4-propan-2-ylphenyl)imidazo[1,2-b]pyridazine
CID 116854271
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine
CID 10020281

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine (CID 82300071) is 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine is COc1cc(C(C)C)ccc1-c1cc(C)nc(N)n1.
What is the InChIKey of 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is LOKDUTQHAJUXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)11-5-6-12(14(8-11)19-4)13-7-10(3)17-15(16)18-13/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine?
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 82300071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).