N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine

C12H19F3N4 — CID 80657069

IUPACN,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine
SMILESCCCN(Cc1nc(C)cc(NC)n1)CC(F)(F)F
InChIInChI=1S/C12H19F3N4/c1-4-5-19(8-12(13,14)15)7-11-17-9(2)6-10(16-3)18-11/h6H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyCWIOROLQPVPHRG-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.60
Rot. Bonds6

About N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine

N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine (PubChem CID 80657069) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine
PubChem CID80657069
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine
SMILESCCCN(Cc1nc(C)cc(NC)n1)CC(F)(F)F
InChIInChI=1S/C12H19F3N4/c1-4-5-19(8-12(13,14)15)7-11-17-9(2)6-10(16-3)18-11/h6H,4-5,7-8H2,1-3H3,(H,16,17,18)
InChIKeyCWIOROLQPVPHRG-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
CID 80658221
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
CID 80655474
2-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80655767
2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 62192654
N,N,N'-trimethyl-N'-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]ethane-1,2-diamine
CID 80657292
2-[[butan-2-yl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657236
2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657938
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-propylamino]-N-methylacetamide
CID 80657671
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine
CID 55075177
2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
2-[(N-ethyl-3-fluoroanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657942
2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657640

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine (CID 80657069) is N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine is CCCN(Cc1nc(C)cc(NC)n1)CC(F)(F)F.
What is the InChIKey of N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine?
The InChIKey is CWIOROLQPVPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-4-5-19(8-12(13,14)15)7-11-17-9(2)6-10(16-3)18-11/h6H,4-5,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine?
N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine has a molecular weight of 276.31 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 80657069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).