N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine

C17H23N3O — CID 80867147

IUPACN-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(C(C)C)c(C)c2)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-6-18-16-10-17(20-13(5)19-16)21-14-7-8-15(11(2)3)12(4)9-14/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyZPDMIFDZPJHXHP-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.44
Rot. Bonds5

About N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine

N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine (PubChem CID 80867147) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
PubChem CID80867147
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc(C(C)C)c(C)c2)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-6-18-16-10-17(20-13(5)19-16)21-14-7-8-15(11(2)3)12(4)9-14/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyZPDMIFDZPJHXHP-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-4-amine
CID 80880083
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80915422
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
N-ethyl-2-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874519
N-ethyl-5-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 104536367
4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865878
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
CID 83145689
[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80915052
6-(3,5-dimethylphenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80966273
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine (CID 80867147) is N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine is CCNc1cc(Oc2ccc(C(C)C)c(C)c2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine?
The InChIKey is ZPDMIFDZPJHXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-18-16-10-17(20-13(5)19-16)21-14-7-8-15(11(2)3)12(4)9-14/h7-11H,6H2,1-5H3,(H,18,19,20).
What are the key properties of N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine?
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80867147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).