4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine

C15H19N3O — CID 82300017

IUPAC4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C)nc(N)n2)cc1C(C)C
InChIInChI=1S/C15H19N3O/c1-9(2)12-8-11(5-6-14(12)19-4)13-7-10(3)17-15(16)18-13/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyBBKXSTYXRPSFGL-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.17
Rot. Bonds3

About 4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine

4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine (PubChem CID 82300017) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
PubChem CID82300017
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C)nc(N)n2)cc1C(C)C
InChIInChI=1S/C15H19N3O/c1-9(2)12-8-11(5-6-14(12)19-4)13-7-10(3)17-15(16)18-13/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyBBKXSTYXRPSFGL-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-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300071
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
CID 82299639
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]-6-methylpyrimidin-4-amine
CID 95474422
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
4-amino-5-(4-methoxy-3-propan-2-ylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 94282421
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892490

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine (CID 82300017) is 4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine is COc1ccc(-c2cc(C)nc(N)n2)cc1C(C)C.
What is the InChIKey of 4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is BBKXSTYXRPSFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)12-8-11(5-6-14(12)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-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine?
4-(4-methoxy-3-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-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 82300017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).