2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine

C10H11ClF3N3 — CID 58458942

IUPAC2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC1CC1Nc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N3/c1-2-5-3-7(5)16-8-6(10(12,13)14)4-15-9(11)17-8/h4-5,7H,2-3H2,1H3,(H,15,16,17)
InChIKeyFZIDYLKAIDAGKC-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine

2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 58458942) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID58458942
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCC1CC1Nc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H11ClF3N3/c1-2-5-3-7(5)16-8-6(10(12,13)14)4-15-9(11)17-8/h4-5,7H,2-3H2,1H3,(H,15,16,17)
InChIKeyFZIDYLKAIDAGKC-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
US10266549, Example 168c
CID 118908038
2-chloro-5-fluoro-N-(propan-2-yl)pyrimidin-4-amine
CID 58336990
N2,N4-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908048
2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine
CID 5306794
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
1-(5-(Trifluoromethyl)pyrimidin-2-yl)ethan-1-amine hydrochloride
CID 167311280
N-[(2-cyclopropylpyrimidin-5-yl)methyl]-3-methylcyclobutan-1-amine
CID 132362501
2-N-(dicyclopropylmethyl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 132412414
trans-(1S,2S)-2-fluoro-N-[(2-methylpyrimidin-5-yl)methyl]cyclohexan-1-amine
CID 164639629
2-Chloro-N-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 21077587
(4-Chloro-5-trifluoromethyl-pyrimidin-2-yl)-cyclohexylamine
CID 21923093

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 58458942) is 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine is CCC1CC1Nc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FZIDYLKAIDAGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c1-2-5-3-7(5)16-8-6(10(12,13)14)4-15-9(11)17-8/h4-5,7H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 265.67 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylcyclopropyl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 58458942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).