2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C11H16BrF3N4O — CID 107495355

IUPAC2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNc1ncc(Br)c(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C11H16BrF3N4O/c1-2-3-16-10-17-6-8(12)9(18-10)19(4-5-20)7-11(13,14)15/h6,20H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyNOJIKXKODWRUFJ-UHFFFAOYSA-N
MW357.17 g/mol
LogP2.42
Rot. Bonds7

About 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495355) has the molecular formula C11H16BrF3N4O and a molecular weight of 357.17 g/mol. Its IUPAC name is 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495355
Molecular FormulaC11H16BrF3N4O
Molecular Weight357.17 g/mol
Exact Mass356.05
IUPAC Name2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNc1ncc(Br)c(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C11H16BrF3N4O/c1-2-3-16-10-17-6-8(12)9(18-10)19(4-5-20)7-11(13,14)15/h6,20H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyNOJIKXKODWRUFJ-UHFFFAOYSA-N
XLogP2.42
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811547
2-[ethyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790274
5-bromo-4-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80814938
2-[(5-bromopyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484495
2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80898903
5-bromo-4-N-pentyl-4-N-propan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80810000
5-bromo-4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 81068013
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropanenitrile
CID 80806926
3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865636
5-bromo-2-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
CID 80847667
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495304
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-methylamino]-N-ethylacetamide
CID 80805220

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495355) is 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CCCNc1ncc(Br)c(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is NOJIKXKODWRUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrF3N4O/c1-2-3-16-10-17-6-8(12)9(18-10)19(4-5-20)7-11(13,14)15/h6,20H,2-5,7H2,1H3,(H,16,17,18).
What are the key properties of 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 357.17 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).