1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine

C10H14F3N5 — CID 59107715

IUPAC1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine
SMILESCCc1cnc(C)nc1N/C(N)=N/CC(F)(F)F
InChIInChI=1S/C10H14F3N5/c1-3-7-4-15-6(2)17-8(7)18-9(14)16-5-10(11,12)13/h4H,3,5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyUWFVQHFMYNJILK-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.64
Rot. Bonds3

About 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine

1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine (PubChem CID 59107715) has the molecular formula C10H14F3N5 and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine
PubChem CID59107715
Molecular FormulaC10H14F3N5
Molecular Weight261.25 g/mol
Exact Mass261.12
IUPAC Name1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine
SMILESCCc1cnc(C)nc1N/C(N)=N/CC(F)(F)F
InChIInChI=1S/C10H14F3N5/c1-3-7-4-15-6(2)17-8(7)18-9(14)16-5-10(11,12)13/h4H,3,5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyUWFVQHFMYNJILK-UHFFFAOYSA-N
XLogP1.64
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2,5-Dimethylpyrimidin-4-Amine
CID 445779
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
Aminomethylpyrimidine
CID 6946837
5-{[Ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
CID 448672
2,4-Diamino-5-methylpyrimidine
CID 65266
5-Aminomethyl-2-methylpyrimidin-4-ylamine dihydrochloride
CID 71584
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
5-Ethylpyrimidin-2-amine
CID 23131355
2-(2-Cyclopropylpyrimidin-5-yl)ethan-1-amine
CID 62757903
2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
2-Chloro-5-(2-fluoropropan-2-yl)pyrimidine
CID 165754623

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine (CID 59107715) is 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine is CCc1cnc(C)nc1N/C(N)=N/CC(F)(F)F.
What is the InChIKey of 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is UWFVQHFMYNJILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5/c1-3-7-4-15-6(2)17-8(7)18-9(14)16-5-10(11,12)13/h4H,3,5H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine?
1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 261.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpyrimidin-4-yl)-2-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 59107715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).