5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine

C20H21FN4O2 — CID 57329438

IUPAC5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-11(2)14-8-16(26-3)15(12-4-6-13(21)7-5-12)9-17(14)27-18-10-24-20(23)25-19(18)22/h4-11H,1-3H3,(H4,22,23,24,25)
InChIKeyGPQLUQVDNKMFQO-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.37
Rot. Bonds5

About 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine

5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine (PubChem CID 57329438) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
PubChem CID57329438
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-11(2)14-8-16(26-3)15(12-4-6-13(21)7-5-12)9-17(14)27-18-10-24-20(23)25-19(18)22/h4-11H,1-3H3,(H4,22,23,24,25)
InChIKeyGPQLUQVDNKMFQO-UHFFFAOYSA-N
XLogP4.37
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine (CID 57329438) is 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine is COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1-c1ccc(F)cc1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
The InChIKey is GPQLUQVDNKMFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-11(2)14-8-16(26-3)15(12-4-6-13(21)7-5-12)9-17(14)27-18-10-24-20(23)25-19(18)22/h4-11H,1-3H3,(H4,22,23,24,25).
What are the key properties of 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine?
5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine has a molecular weight of 368.41 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 57329438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).