5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine

C16H21N3O — CID 95474423

IUPAC5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(C(C)C)cc1-c1c(C)nc(C)nc1N
InChIInChI=1S/C16H21N3O/c1-9(2)12-6-7-14(20-5)13(8-12)15-10(3)18-11(4)19-16(15)17/h6-9H,1-5H3,(H2,17,18,19)
InChIKeySRIPFKGPZJKNRQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds3

About 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine

5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 95474423) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID95474423
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(C(C)C)cc1-c1c(C)nc(C)nc1N
InChIInChI=1S/C16H21N3O/c1-9(2)12-6-7-14(20-5)13(8-12)15-10(3)18-11(4)19-16(15)17/h6-9H,1-5H3,(H2,17,18,19)
InChIKeySRIPFKGPZJKNRQ-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

5-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 82301068
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(2,5-dimethylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 82288023
1-methoxy-4-methyl-6-propan-2-ylnaphthalene
CID 101078716
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
5-(3-methoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 15280859
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98019625
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-(2-methoxy-5-propan-2-ylphenyl)thiophen-2-amine
CID 82130986
3-amino-5-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazole-4-carboxylic acid
CID 98019064

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine (CID 95474423) is 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine is COc1ccc(C(C)C)cc1-c1c(C)nc(C)nc1N.
What is the InChIKey of 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is SRIPFKGPZJKNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9(2)12-6-7-14(20-5)13(8-12)15-10(3)18-11(4)19-16(15)17/h6-9H,1-5H3,(H2,17,18,19).
What are the key properties of 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine?
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-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 5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 95474423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).