4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

C12H17F3N4O — CID 115586168

IUPAC4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-20-10-2-4-16-11(18-10)17-6-9-3-5-19(7-9)8-12(13,14)15/h2,4,9H,3,5-8H2,1H3,(H,16,17,18)
InChIKeyYTUHJMKSRQQLNJ-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.78
Rot. Bonds5

About 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 115586168) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID115586168
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C12H17F3N4O/c1-20-10-2-4-16-11(18-10)17-6-9-3-5-19(7-9)8-12(13,14)15/h2,4,9H,3,5-8H2,1H3,(H,16,17,18)
InChIKeyYTUHJMKSRQQLNJ-UHFFFAOYSA-N
XLogP1.78
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-N-methyl-2-pyrimidinamine
CID 23422138
4-Methoxy-2-(piperazin-1-yl)pyrimidine
CID 11480987
1-(4-Methoxypyrimidin-2-yl)-1,4-diazepane
CID 16777398
N'-[rel-(3R,4S)-1-(4-methoxy-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]-N,N-dimethylsulfamide hydrochloride
CID 72930484
N'-[(3S*,4R*)-4-isopropyl-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]-N,N-dimethylsulfamide
CID 72937947
5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 164630566
4-methoxy-N-(piperidin-4-yl)pyrimidin-2-amine
CID 43607806
6-methoxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 39818605
N,N'-bis(4-methoxypyrimidin-2-yl)propane-1,3-diamine
CID 78858358
N-[(2R)-1-imidazol-1-yl-3-methylbutan-2-yl]-6-methoxypyrimidin-4-amine
CID 95144106
[3-Fluoro-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 121537713
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-4-ethoxypyrimidin-2-amine
CID 125444383

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (CID 115586168) is 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is COc1ccnc(NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is YTUHJMKSRQQLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-20-10-2-4-16-11(18-10)17-6-9-3-5-19(7-9)8-12(13,14)15/h2,4,9H,3,5-8H2,1H3,(H,16,17,18).
What are the key properties of 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 290.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 115586168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).