4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine

C17H23N3O — CID 80874250

IUPAC4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C17H23N3O/c1-6-18-16-19-11-12(2)15(20-16)21-14-9-7-8-13(10-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyMJDLDPXBIMNMFV-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.31
Rot. Bonds4

About 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine

4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine (PubChem CID 80874250) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
PubChem CID80874250
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C17H23N3O/c1-6-18-16-19-11-12(2)15(20-16)21-14-9-7-8-13(10-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyMJDLDPXBIMNMFV-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
CID 80876421
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388463
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
4-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
4-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80864579

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine (CID 80874250) is 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine is CCNc1ncc(C)c(Oc2cccc(C(C)(C)C)c2)n1.
What is the InChIKey of 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine?
The InChIKey is MJDLDPXBIMNMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-18-16-19-11-12(2)15(20-16)21-14-9-7-8-13(10-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,19,20).
What are the key properties of 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine?
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80874250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).