[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C8H10F3N3 — CID 82506813

IUPAC[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCCc1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-2-6-13-4-5(3-12)7(14-6)8(9,10)11/h4H,2-3,12H2,1H3
InChIKeyBFHGBIXKHPINBK-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.52
Rot. Bonds2

About [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 82506813) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID82506813
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCCc1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-2-6-13-4-5(3-12)7(14-6)8(9,10)11/h4H,2-3,12H2,1H3
InChIKeyBFHGBIXKHPINBK-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 114205970
5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride
CID 133062849
2-(3,3-dimethylbutyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114212277
4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine
CID 131115505
[2-thiophen-2-yl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 114205979
4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine
CID 75132224
[4-propyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]methanamine
CID 114206012
[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
CID 130482994
5-(chloromethyl)-2-ethylpyrimidin-4-amine
CID 118060527
5-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133084494
[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
CID 105466934
2-(2-methylpropylsulfanylmethyl)-4-(trifluoromethyl)pyrimidin-5-amine
CID 114207085

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 82506813) is [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is CCc1ncc(CN)c(C(F)(F)F)n1.
What is the InChIKey of [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is BFHGBIXKHPINBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-2-6-13-4-5(3-12)7(14-6)8(9,10)11/h4H,2-3,12H2,1H3.
What are the key properties of [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 205.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 82506813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).