N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

C9H10F5N3O — CID 80877318

IUPACN-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC(F)(F)C(F)(F)F)ncn1
InChIInChI=1S/C9H10F5N3O/c1-2-15-6-3-7(17-5-16-6)18-4-8(10,11)9(12,13)14/h3,5H,2,4H2,1H3,(H,15,16,17)
InChIKeyQERBWEQRAFVRNE-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.48
Rot. Bonds5

About N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (PubChem CID 80877318) has the molecular formula C9H10F5N3O and a molecular weight of 271.19 g/mol. Its IUPAC name is N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
PubChem CID80877318
Molecular FormulaC9H10F5N3O
Molecular Weight271.19 g/mol
Exact Mass271.07
IUPAC NameN-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCC(F)(F)C(F)(F)F)ncn1
InChIInChI=1S/C9H10F5N3O/c1-2-15-6-3-7(17-5-16-6)18-4-8(10,11)9(12,13)14/h3,5H,2,4H2,1H3,(H,15,16,17)
InChIKeyQERBWEQRAFVRNE-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-amine
CID 80878301
6-cyclobutyloxy-N-ethylpyrimidin-4-amine
CID 80873769
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327797
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine
CID 80858921
6-(2,4-difluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80862793
N,2-diethyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80942434
N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774661
N-ethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875006
6-(3,4-dimethylcyclohexyl)oxy-N-ethylpyrimidin-4-amine
CID 80876764

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (CID 80877318) is N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is CCNc1cc(OCC(F)(F)C(F)(F)F)ncn1.
What is the InChIKey of N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The InChIKey is QERBWEQRAFVRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5N3O/c1-2-15-6-3-7(17-5-16-6)18-4-8(10,11)9(12,13)14/h3,5H,2,4H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine has a molecular weight of 271.19 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80877318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).