5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

C15H20N4O2 — CID 44573603

IUPAC5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
InChIInChI=1S/C15H20N4O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19)
InChIKeyIBCZHROKDLOJJF-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.87
Rot. Bonds4

About 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (PubChem CID 44573603) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
PubChem CID44573603
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C
InChIInChI=1S/C15H20N4O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19)
InChIKeyIBCZHROKDLOJJF-UHFFFAOYSA-N
XLogP2.87
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (CID 44573603) is 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C.
What is the InChIKey of 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is IBCZHROKDLOJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8H,1-4H3,(H4,16,17,18,19).
What are the key properties of 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 44573603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).