5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine

C14H17F3N6O — CID 147172849

IUPAC5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(NCC(F)(F)F)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C14H17F3N6O/c1-7(2)8-4-20-11(22-6-14(15,16)17)3-9(8)24-10-5-21-13(19)23-12(10)18/h3-5,7H,6H2,1-2H3,(H,20,22)(H4,18,19,21,23)
InChIKeyBYBDRISYVLDBFK-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.93
Rot. Bonds5

About 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine

5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine (PubChem CID 147172849) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
PubChem CID147172849
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(NCC(F)(F)F)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C14H17F3N6O/c1-7(2)8-4-20-11(22-6-14(15,16)17)3-9(8)24-10-5-21-13(19)23-12(10)18/h3-5,7H,6H2,1-2H3,(H,20,22)(H4,18,19,21,23)
InChIKeyBYBDRISYVLDBFK-UHFFFAOYSA-N
XLogP2.93
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine (CID 147172849) is 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine is CC(C)c1cnc(NCC(F)(F)F)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The InChIKey is BYBDRISYVLDBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-7(2)8-4-20-11(22-6-14(15,16)17)3-9(8)24-10-5-21-13(19)23-12(10)18/h3-5,7H,6H2,1-2H3,(H,20,22)(H4,18,19,21,23).
What are the key properties of 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine has a molecular weight of 342.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-propan-2-yl-2-(2,2,2-trifluoroethylamino)-4-pyridinyl]oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 147172849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).