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

C16H22N4O2 — CID 44573604

IUPAC5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C16H22N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKeyGNXVOAVSOLSRGY-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.13
Rot. Bonds5

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

5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (PubChem CID 44573604) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
PubChem CID44573604
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
SMILESCCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC
InChIInChI=1S/C16H22N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKeyGNXVOAVSOLSRGY-UHFFFAOYSA-N
XLogP3.13
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine (CID 44573604) is 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is CCc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC.
What is the InChIKey of 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
The InChIKey is GNXVOAVSOLSRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-5-10-6-13(11(9(2)3)7-12(10)21-4)22-14-8-19-16(18)20-15(14)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20).
What are the key properties of 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine?
5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 44573604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).