6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

C16H21N3O — CID 80952608

IUPAC6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCOc1ccc(-c2cc(NC)nc(C(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-5-20-13-8-6-12(7-9-13)14-10-15(17-4)19-16(18-14)11(2)3/h6-11H,5H2,1-4H3,(H,17,18,19)
InChIKeyLSVQUIRNTKGYKL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.71
Rot. Bonds5

About 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80952608) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80952608
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCOc1ccc(-c2cc(NC)nc(C(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-5-20-13-8-6-12(7-9-13)14-10-15(17-4)19-16(18-14)11(2)3/h6-11H,5H2,1-4H3,(H,17,18,19)
InChIKeyLSVQUIRNTKGYKL-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80949110
6-(4-ethoxyphenyl)-N-methylpyridazin-3-amine
CID 62203548
6-(4-methylphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952017
4-(4-ethoxyphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82300036
N-methyl-6-[3-(2-methylpropyl)phenyl]-2-propan-2-ylpyrimidin-4-amine
CID 116546243
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
6-(3-fluoro-5-methylphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80952716
6-(6-methoxy-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948337
4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
6-(3,4-difluorophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80948247
4-(4-ethoxyphenyl)-N-methylaniline
CID 83643476
N'-[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 82191492

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80952608) is 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CCOc1ccc(-c2cc(NC)nc(C(C)C)n2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is LSVQUIRNTKGYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-20-13-8-6-12(7-9-13)14-10-15(17-4)19-16(18-14)11(2)3/h6-11H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80952608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).