[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C11H16F3N3O — CID 114205972

IUPAC[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCCOC(CC)c1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-8(18-4-2)10-16-6-7(5-15)9(17-10)11(12,13)14/h6,8H,3-5,15H2,1-2H3
InChIKeyCOZISHOUWCMRMZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.44
Rot. Bonds5

About [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114205972) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114205972
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESCCOC(CC)c1ncc(CN)c(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-8(18-4-2)10-16-6-7(5-15)9(17-10)11(12,13)14/h6,8H,3-5,15H2,1-2H3
InChIKeyCOZISHOUWCMRMZ-UHFFFAOYSA-N
XLogP2.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4,5-Dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 75436307
2-(2-Methylmorpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 58228035
5-[4-[(2R)-2-methylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58507723
5-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58508005
5-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 58508195
5-[4-(2-Methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 66988596
5-[4-(2,6-Dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 76807791
5-(1,1-difluoroethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine
CID 89929545
Azane;4,5-dimethyl-2-(trifluoromethyl)pyrimidine
CID 118590979
4-(difluoromethyl)-5-[6-[(3S)-3-methylmorpholin-4-yl]-4-morpholin-4-yl-1,4-dihydro-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 121339659
2-(1-Ethoxyvinyl)-4-(fluoromethyl)pyrimidine
CID 121394324
4-(Difluoromethyl)-2-(1-ethoxyvinyl)pyrimidine
CID 121394414

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 114205972) is [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is CCOC(CC)c1ncc(CN)c(C(F)(F)F)n1.
What is the InChIKey of [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is COZISHOUWCMRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-8(18-4-2)10-16-6-7(5-15)9(17-10)11(12,13)14/h6,8H,3-5,15H2,1-2H3.
What are the key properties of [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 263.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxypropyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114205972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).