4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

C13H19F3N4 — CID 60856650

IUPAC4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4/c1-9-5-10(2)19-12(18-9)17-6-11-3-4-20(7-11)8-13(14,15)16/h5,11H,3-4,6-8H2,1-2H3,(H,17,18,19)
InChIKeyIVICDPQOYFSYNB-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.39
Rot. Bonds4

About 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 60856650) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID60856650
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2CCN(CC(F)(F)F)C2)n1
InChIInChI=1S/C13H19F3N4/c1-9-5-10(2)19-12(18-9)17-6-11-3-4-20(7-11)8-13(14,15)16/h5,11H,3-4,6-8H2,1-2H3,(H,17,18,19)
InChIKeyIVICDPQOYFSYNB-UHFFFAOYSA-N
XLogP2.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 106192696
2-[(1-ethylpyrrolidin-3-yl)methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107543760
4,6-dimethyl-N-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrimidin-2-amine
CID 123277786
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112567
tert-butyl (3R)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176279
6-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-2,6-diamine
CID 80647041
3-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052697
2-(methoxymethyl)-6-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133486689
6-methyl-2-[(1-propylpyrrolidin-3-yl)methylamino]pyrimidine-4-carbonitrile
CID 136539750
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855134
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 61253564
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856314

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (CID 60856650) is 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCC2CCN(CC(F)(F)F)C2)n1.
What is the InChIKey of 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is IVICDPQOYFSYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-9-5-10(2)19-12(18-9)17-6-11-3-4-20(7-11)8-13(14,15)16/h5,11H,3-4,6-8H2,1-2H3,(H,17,18,19).
What are the key properties of 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 60856650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).