N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine

C12H18F3N3 — CID 114206730

IUPACN-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CC(F)(F)F)ncc1CNC(C)C
InChIInChI=1S/C12H18F3N3/c1-4-10-9(6-16-8(2)3)7-17-11(18-10)5-12(13,14)15/h7-8,16H,4-6H2,1-3H3
InChIKeyFFFUTHYMRBJQNQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.64
Rot. Bonds5

About N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 114206730) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID114206730
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CC(F)(F)F)ncc1CNC(C)C
InChIInChI=1S/C12H18F3N3/c1-4-10-9(6-16-8(2)3)7-17-11(18-10)5-12(13,14)15/h7-8,16H,4-6H2,1-3H3
InChIKeyFFFUTHYMRBJQNQ-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-ethyl-2-(2-methoxyethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206739
N-[[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 62746030
4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine
CID 131115505
N-[[2-(2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206828
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol
CID 126975264
N-[[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 83189356
N-[[2-(2,2-dimethylpropyl)-4-propylpyrimidin-5-yl]methyl]ethanamine
CID 114206620
N-[(2,4-dichloropyrimidin-5-yl)methyl]propan-2-amine
CID 53385528
2-[(propan-2-ylamino)methyl]pyrimidine-5-carboxylic acid
CID 84666060
N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206482
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103898846

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine (CID 114206730) is N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine is CCc1nc(CC(F)(F)F)ncc1CNC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is FFFUTHYMRBJQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-4-10-9(6-16-8(2)3)7-17-11(18-10)5-12(13,14)15/h7-8,16H,4-6H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114206730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).