4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C8H11F3N4 — CID 107541680

IUPAC4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCN(CC(F)(F)F)c1nccc(CN)n1
InChIInChI=1S/C8H11F3N4/c1-15(5-8(9,10)11)7-13-3-2-6(4-12)14-7/h2-3H,4-5,12H2,1H3
InChIKeyQAVONCAYYFRHIR-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.93
Rot. Bonds3

About 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 107541680) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID107541680
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCN(CC(F)(F)F)c1nccc(CN)n1
InChIInChI=1S/C8H11F3N4/c1-15(5-8(9,10)11)7-13-3-2-6(4-12)14-7/h2-3H,4-5,12H2,1H3
InChIKeyQAVONCAYYFRHIR-UHFFFAOYSA-N
XLogP0.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80791966
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
N',2,2-trimethyl-N'-[4-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 79660157
1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 107542282
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037
6-bromo-2-N-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116796487
2-methyl-1-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-ol
CID 78964681
5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 63874582
[2-[(dimethylamino)methyl]pyrimidin-4-yl]methanamine
CID 79089467
tert-butyl N-[4-(aminomethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171568778
N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 115257828

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 107541680) is 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is CN(CC(F)(F)F)c1nccc(CN)n1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is QAVONCAYYFRHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-15(5-8(9,10)11)7-13-3-2-6(4-12)14-7/h2-3H,4-5,12H2,1H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 220.20 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 107541680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).