2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C12H19F3N4O — CID 107481530

IUPAC2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)NCc1cnc(N(CCO)CC(F)(F)F)nc1
InChIInChI=1S/C12H19F3N4O/c1-9(2)16-5-10-6-17-11(18-7-10)19(3-4-20)8-12(13,14)15/h6-7,9,16,20H,3-5,8H2,1-2H3
InChIKeyIHXLGUALDWHFLQ-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.34
Rot. Bonds7

About 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107481530) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107481530
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC Name2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)NCc1cnc(N(CCO)CC(F)(F)F)nc1
InChIInChI=1S/C12H19F3N4O/c1-9(2)16-5-10-6-17-11(18-7-10)19(3-4-20)8-12(13,14)15/h6-7,9,16,20H,3-5,8H2,1-2H3
InChIKeyIHXLGUALDWHFLQ-UHFFFAOYSA-N
XLogP1.34
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

N,N,N'-trimethyl-N'-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 113388230
2-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481548
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456
2-[[5-(ethylaminomethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481493
4-[methyl-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]amino]butan-2-ol
CID 113499719
N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
CID 113388114
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915
N-[[2-[2-(dimethylamino)ethyl]pyrimidin-5-yl]methyl]propan-2-amine
CID 115347141
N-[(2-propan-2-ylpyrimidin-5-yl)methyl]propan-2-amine
CID 62757867
2-[pentan-3-yl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]ethanol
CID 80630615
3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol
CID 113468825
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107481530) is 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CC(C)NCc1cnc(N(CCO)CC(F)(F)F)nc1.
What is the InChIKey of 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IHXLGUALDWHFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-9(2)16-5-10-6-17-11(18-7-10)19(3-4-20)8-12(13,14)15/h6-7,9,16,20H,3-5,8H2,1-2H3.
What are the key properties of 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 292.30 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107481530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).