N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine

C17H23N3O — CID 80874958

IUPACN-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
SMILESCNc1ncnc(Oc2cc(C)cc(C)c2C)c1C(C)C
InChIInChI=1S/C17H23N3O/c1-10(2)15-16(18-6)19-9-20-17(15)21-14-8-11(3)7-12(4)13(14)5/h7-10H,1-6H3,(H,18,19,20)
InChIKeyLKVJOCCYFXZLMM-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.36
Rot. Bonds4

About N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine

N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine (PubChem CID 80874958) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
PubChem CID80874958
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine
SMILESCNc1ncnc(Oc2cc(C)cc(C)c2C)c1C(C)C
InChIInChI=1S/C17H23N3O/c1-10(2)15-16(18-6)19-9-20-17(15)21-14-8-11(3)7-12(4)13(14)5/h7-10H,1-6H3,(H,18,19,20)
InChIKeyLKVJOCCYFXZLMM-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)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

[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80910696
6-(3,5-dichlorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80875888
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
6-(4-bromophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80864200
3,5-dichloro-N-methyl-6-(2,3,5-trimethylphenoxy)pyridin-2-amine
CID 102760749
6-[(5-bromo-3-pyridinyl)oxy]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876304
[6-(2-methoxy-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80909009
6-(3-chloro-4-fluorophenoxy)-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80876057
2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
CID 59184665
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80874410
6-(3,5-dimethylcyclohexyl)oxy-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 80878317
4-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]oxybenzamide
CID 80874832

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine?
The IUPAC name of N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine (CID 80874958) is N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine is CNc1ncnc(Oc2cc(C)cc(C)c2C)c1C(C)C.
What is the InChIKey of N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine?
The InChIKey is LKVJOCCYFXZLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-10(2)15-16(18-6)19-9-20-17(15)21-14-8-11(3)7-12(4)13(14)5/h7-10H,1-6H3,(H,18,19,20).
What are the key properties of N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine?
N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80874958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).