5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine

C15H17F3N4O3 — CID 59598737

IUPAC5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1OC(F)(F)F
InChIInChI=1S/C15H17F3N4O3/c1-7(2)8-4-10(23-3)11(25-15(16,17)18)5-9(8)24-12-6-21-14(20)22-13(12)19/h4-7H,1-3H3,(H4,19,20,21,22)
InChIKeyKGMGEZRXBPHRRH-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.46
Rot. Bonds5

About 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine

5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine (PubChem CID 59598737) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine
PubChem CID59598737
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1OC(F)(F)F
InChIInChI=1S/C15H17F3N4O3/c1-7(2)8-4-10(23-3)11(25-15(16,17)18)5-9(8)24-12-6-21-14(20)22-13(12)19/h4-7H,1-3H3,(H4,19,20,21,22)
InChIKeyKGMGEZRXBPHRRH-UHFFFAOYSA-N
XLogP3.46
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine (CID 59598737) is 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine is COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1OC(F)(F)F.
What is the InChIKey of 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine?
The InChIKey is KGMGEZRXBPHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c1-7(2)8-4-10(23-3)11(25-15(16,17)18)5-9(8)24-12-6-21-14(20)22-13(12)19/h4-7H,1-3H3,(H4,19,20,21,22).
What are the key properties of 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine?
5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine has a molecular weight of 358.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-2-propan-2-yl-5-(trifluoromethoxy)phenoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 59598737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).