5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine

C15H19N3O — CID 80863693

IUPAC5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2nc(N)ncc2C)ccc1C(C)C
InChIInChI=1S/C15H19N3O/c1-9(2)13-6-5-12(7-10(13)3)19-14-11(4)8-17-15(16)18-14/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyUOXJDUAIXTYVBP-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.59
Rot. Bonds3

About 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine

5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine (PubChem CID 80863693) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
PubChem CID80863693
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2nc(N)ncc2C)ccc1C(C)C
InChIInChI=1S/C15H19N3O/c1-9(2)13-6-5-12(7-10(13)3)19-14-11(4)8-17-15(16)18-14/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyUOXJDUAIXTYVBP-UHFFFAOYSA-N
XLogP3.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)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

5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-4-amine
CID 83265567
4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881028
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
CID 80875257
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 115474420
5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80875224
4-ethoxy-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80867150
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
5-bromo-3-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 103583561
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 63736409

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine (CID 80863693) is 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine is Cc1cc(Oc2nc(N)ncc2C)ccc1C(C)C.
What is the InChIKey of 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine?
The InChIKey is UOXJDUAIXTYVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)13-6-5-12(7-10(13)3)19-14-11(4)8-17-15(16)18-14/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine?
5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80863693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).