5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

C10H14F3N3O — CID 82958852

IUPAC5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1OCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-6(2)7-8(14)15-5-16-9(7)17-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyFJIVILHWVLWOIF-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.51
Rot. Bonds4

About 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (PubChem CID 82958852) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
PubChem CID82958852
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1OCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-6(2)7-8(14)15-5-16-9(7)17-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyFJIVILHWVLWOIF-UHFFFAOYSA-N
XLogP2.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Propan-2-yl-4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 70842763
5-Ethyl-4-(3,4,4,4-tetrafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 70842874
5-Ethyl-4-(2,2,3,4,4,4-hexafluorobutoxy)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 87547370
4-(2,2,3,4,4,4-Hexafluorobutoxy)-5-propan-2-yl-6-(1,2,4-triazol-1-yl)pyrimidine
CID 87547690
4,6-Dimethoxy-5-(pentafluoroethyl)pyrimidine
CID 118484811
6-(2,2-Difluoropropoxy)-5-fluoropyrimidin-4-amine
CID 123161731
4-(Oxetan-3-ylmethoxy)-5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 130210333
2-Cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine
CID 130210343
5-Tert-butyl-2-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyrimidine
CID 135231332
5-Tert-butyl-4-(difluoromethoxy)-6-methoxypyrimidine
CID 162378491
4-Methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 164907832
5-(1,1-Difluoroethyl)-4-methoxypyrimidin-2-amine
CID 164907865

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (CID 82958852) is 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is CC(C)c1c(N)ncnc1OCCC(F)(F)F.
What is the InChIKey of 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The InChIKey is FJIVILHWVLWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(2)7-8(14)15-5-16-9(7)17-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82958852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).