6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H21N3O — CID 80977446

IUPAC6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCOc1cccc(-c2nc(C(C)C)nc(N)c2C)c1
InChIInChI=1S/C16H21N3O/c1-5-20-13-8-6-7-12(9-13)14-11(4)15(17)19-16(18-14)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyVIWDFSLDEOJMLB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.56
Rot. Bonds4

About 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80977446) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80977446
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCOc1cccc(-c2nc(C(C)C)nc(N)c2C)c1
InChIInChI=1S/C16H21N3O/c1-5-20-13-8-6-7-12(9-13)14-11(4)15(17)19-16(18-14)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyVIWDFSLDEOJMLB-UHFFFAOYSA-N
XLogP3.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974789
6-(3-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80975741
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 80978774
5-methyl-6-(3-nitrophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80974718
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
6-(4-cyclopropyloxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114520347
2-(3-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63617940
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 114523269
2-(3-ethoxyphenyl)aniline
CID 57482711

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80977446) is 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCOc1cccc(-c2nc(C(C)C)nc(N)c2C)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VIWDFSLDEOJMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-20-13-8-6-7-12(9-13)14-11(4)15(17)19-16(18-14)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80977446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).