2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C13H21F3N4O — CID 107495240

IUPAC2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNc1ncnc(N(CCO)CC(F)(F)F)c1CC
InChIInChI=1S/C13H21F3N4O/c1-3-5-17-11-10(4-2)12(19-9-18-11)20(6-7-21)8-13(14,15)16/h9,21H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyXXEJZFLAICGRCR-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.22
Rot. Bonds8

About 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495240) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495240
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCNc1ncnc(N(CCO)CC(F)(F)F)c1CC
InChIInChI=1S/C13H21F3N4O/c1-3-5-17-11-10(4-2)12(19-9-18-11)20(6-7-21)8-13(14,15)16/h9,21H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyXXEJZFLAICGRCR-UHFFFAOYSA-N
XLogP2.22
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-Amino-5-ethylpyrimidin-4-YL)amino]-3-(dimethylamino)propan-2-OL
CID 72854104
2-[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 141126369
N-[6-(dimethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]formamide
CID 286100
6-chloro-5-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63834432
5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80777392
5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80784894
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
6-N-ethyl-5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785541
6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785912
6-N-methyl-5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786205
5-ethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786211
5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786474

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495240) is 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CCCNc1ncnc(N(CCO)CC(F)(F)F)c1CC.
What is the InChIKey of 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is XXEJZFLAICGRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-3-5-17-11-10(4-2)12(19-9-18-11)20(6-7-21)8-13(14,15)16/h9,21H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 306.33 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).