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

C17H23N3O — CID 80938888

IUPAC2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2cc(C(C)C)ccc2C)n1
InChIInChI=1S/C17H23N3O/c1-6-15-19-16(18-5)10-17(20-15)21-14-9-13(11(2)3)8-7-12(14)4/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyMBBWBSUOBQXBMK-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.30
Rot. Bonds5

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

2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine (PubChem CID 80938888) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
PubChem CID80938888
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCc1nc(NC)cc(Oc2cc(C(C)C)ccc2C)n1
InChIInChI=1S/C17H23N3O/c1-6-15-19-16(18-5)10-17(20-15)21-14-9-13(11(2)3)8-7-12(14)4/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyMBBWBSUOBQXBMK-UHFFFAOYSA-N
XLogP4.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-methyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80941455
N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80664311
6-(2,5-dimethylphenoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 80949696
6-(2-chloro-4-methylphenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942372
2-ethyl-N-methyl-6-naphthalen-1-yloxypyrimidin-4-amine
CID 80938850
[6-(5-chloro-2-methylphenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938715
2-ethyl-6-(3-methoxyphenoxy)-N-methylpyrimidin-4-amine
CID 80942141
2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942176
2-ethyl-N-methyl-6-(2-propan-2-yloxyethoxy)pyrimidin-4-amine
CID 80941741
2-ethyl-N-methyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80938865
2-ethyl-6-N-methyl-4-N-(3-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80933742
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine (CID 80938888) is 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine is CCc1nc(NC)cc(Oc2cc(C(C)C)ccc2C)n1.
What is the InChIKey of 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine?
The InChIKey is MBBWBSUOBQXBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-15-19-16(18-5)10-17(20-15)21-14-9-13(11(2)3)8-7-12(14)4/h7-11H,6H2,1-5H3,(H,18,19,20).
What are the key properties of 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine?
2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-6-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80938888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).