2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine

C16H21N3O — CID 80941059

IUPAC2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cc(C)ccc2C(C)C)n1
InChIInChI=1S/C16H21N3O/c1-5-15-18-14(17)9-16(19-15)20-13-8-11(4)6-7-12(13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyQYDRCGVWKBVHFG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.85
Rot. Bonds4

About 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine

2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine (PubChem CID 80941059) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
PubChem CID80941059
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cc(C)ccc2C(C)C)n1
InChIInChI=1S/C16H21N3O/c1-5-15-18-14(17)9-16(19-15)20-13-8-11(4)6-7-12(13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyQYDRCGVWKBVHFG-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(5-methyl-2-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80864015
6-(2-butan-2-ylphenoxy)-2-ethylpyrimidin-4-amine
CID 80941065
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048
2-ethyl-6-(2-methoxyphenoxy)pyrimidin-4-amine
CID 80941255
4-chloro-2-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine
CID 62481702
6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966556
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
CID 80937801
2,5-dimethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80864721
4-chloro-6-(2-chloro-5-methylphenoxy)-2-ethylpyrimidine
CID 80942843
6-(2-bromo-4-chlorophenoxy)-2-ethylpyrimidin-4-amine
CID 80941349

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine (CID 80941059) is 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine is CCc1nc(N)cc(Oc2cc(C)ccc2C(C)C)n1.
What is the InChIKey of 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine?
The InChIKey is QYDRCGVWKBVHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-15-18-14(17)9-16(19-15)20-13-8-11(4)6-7-12(13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine?
2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80941059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).