N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine

C16H21N3O — CID 80881682

IUPACN-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C16H21N3O/c1-6-17-16-18-9-12(4)15(19-16)20-14-8-10(2)7-11(3)13(14)5/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeySJERHHVNKBRPKT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.93
Rot. Bonds4

About N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine

N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine (PubChem CID 80881682) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
PubChem CID80881682
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
SMILESCCNc1ncc(C)c(Oc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C16H21N3O/c1-6-17-16-18-9-12(4)15(19-16)20-14-8-10(2)7-11(3)13(14)5/h7-9H,6H2,1-5H3,(H,17,18,19)
InChIKeySJERHHVNKBRPKT-UHFFFAOYSA-N
XLogP3.93
TPSA47.04 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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-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

N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80879033
N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881926
4-(2-chlorophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864516
4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 80882080
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
N-ethyl-6-(2,3,5-trimethylphenoxy)pyrazin-2-amine
CID 80881852
[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916575
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388463
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine (CID 80881682) is N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine is CCNc1ncc(C)c(Oc2cc(C)cc(C)c2C)n1.
What is the InChIKey of N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
The InChIKey is SJERHHVNKBRPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-6-17-16-18-9-12(4)15(19-16)20-14-8-10(2)7-11(3)13(14)5/h7-9H,6H2,1-5H3,(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine?
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80881682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).