5-(trifluoromethoxy)pyrimidin-2-amine

C5H4F3N3O — CID 138532683

IUPAC5-(trifluoromethoxy)pyrimidin-2-amine
SMILESNc1ncc(OC(F)(F)F)cn1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)12-3-1-10-4(9)11-2-3/h1-2H,(H2,9,10,11)
InChIKeySBCPMOQVZNGJPL-UHFFFAOYSA-N
MW179.10 g/mol
LogP0.96
Rot. Bonds1

About 5-(trifluoromethoxy)pyrimidin-2-amine

5-(trifluoromethoxy)pyrimidin-2-amine (PubChem CID 138532683) has the molecular formula C5H4F3N3O and a molecular weight of 179.10 g/mol. Its IUPAC name is 5-(trifluoromethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(trifluoromethoxy)pyrimidin-2-amine
PubChem CID138532683
Molecular FormulaC5H4F3N3O
Molecular Weight179.10 g/mol
Exact Mass179.03
IUPAC Name5-(trifluoromethoxy)pyrimidin-2-amine
SMILESNc1ncc(OC(F)(F)F)cn1
InChIInChI=1S/C5H4F3N3O/c6-5(7,8)12-3-1-10-4(9)11-2-3/h1-2H,(H2,9,10,11)
InChIKeySBCPMOQVZNGJPL-UHFFFAOYSA-N
XLogP0.96
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-3-amine
CID 114281005
2,5-bis(trifluoromethoxy)pyrazine
CID 119084225
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
3-[5-(trifluoromethoxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 155230831
3-[5-(trifluoromethoxy)-2-pyridinyl]pyridin-4-amine
CID 171572565
[3-iodo-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118803142
molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
CID 153387486
5-(7-methyltridecan-7-yloxy)pyrimidin-2-amine
CID 155370865
5-(trifluoromethoxy)quinazolin-2-amine
CID 162341895
3-bromo-2-(bromomethyl)-5-(trifluoromethoxy)pyridine
CID 130089434
4-(trifluoromethoxy)pyridine-2,3,5-triamine
CID 118832073

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxy)pyrimidin-2-amine?
The IUPAC name of 5-(trifluoromethoxy)pyrimidin-2-amine (CID 138532683) is 5-(trifluoromethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-(trifluoromethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-(trifluoromethoxy)pyrimidin-2-amine is Nc1ncc(OC(F)(F)F)cn1.
What is the InChIKey of 5-(trifluoromethoxy)pyrimidin-2-amine?
The InChIKey is SBCPMOQVZNGJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O/c6-5(7,8)12-3-1-10-4(9)11-2-3/h1-2H,(H2,9,10,11).
What are the key properties of 5-(trifluoromethoxy)pyrimidin-2-amine?
5-(trifluoromethoxy)pyrimidin-2-amine has a molecular weight of 179.10 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)pyrimidin-2-amine is sourced from PubChem (CID 138532683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).