4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine

C16H21N3O — CID 95474541

IUPAC4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(C)C)nc(N)n2)c(C)c1C
InChIInChI=1S/C16H21N3O/c1-9(2)13-8-14(19-16(17)18-13)12-6-7-15(20-5)11(4)10(12)3/h6-9H,1-5H3,(H2,17,18,19)
InChIKeySSOMBPFBFWNJMS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds3

About 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine

4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 95474541) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID95474541
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(C)C)nc(N)n2)c(C)c1C
InChIInChI=1S/C16H21N3O/c1-9(2)13-8-14(19-16(17)18-13)12-6-7-15(20-5)11(4)10(12)3/h6-9H,1-5H3,(H2,17,18,19)
InChIKeySSOMBPFBFWNJMS-UHFFFAOYSA-N
XLogP3.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 15435581
4-(2,4-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82293115
6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine
CID 82474066
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300071
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82300078
4-(4,8-difluoronaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
CID 15864232
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82300036
4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 14545360

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine (CID 95474541) is 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine is COc1ccc(-c2cc(C(C)C)nc(N)n2)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is SSOMBPFBFWNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9(2)13-8-14(19-16(17)18-13)12-6-7-15(20-5)11(4)10(12)3/h6-9H,1-5H3,(H2,17,18,19).
What are the key properties of 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine?
4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 95474541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).