2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C10H16F3N5O — CID 107495264

IUPAC2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNc1cc(N(CCO)CC(F)(F)F)nc(N)n1
InChIInChI=1S/C10H16F3N5O/c1-2-15-7-5-8(17-9(14)16-7)18(3-4-19)6-10(11,12)13/h5,19H,2-4,6H2,1H3,(H3,14,15,16,17)
InChIKeyMGNBQMSKCIWQRN-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.85
Rot. Bonds6

About 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol

2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495264) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495264
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNc1cc(N(CCO)CC(F)(F)F)nc(N)n1
InChIInChI=1S/C10H16F3N5O/c1-2-15-7-5-8(17-9(14)16-7)18(3-4-19)6-10(11,12)13/h5,19H,2-4,6H2,1H3,(H3,14,15,16,17)
InChIKeyMGNBQMSKCIWQRN-UHFFFAOYSA-N
XLogP0.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol with MolForge

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Related Compounds

2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495464
6-N-ethyl-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4,6-triamine
CID 80847003
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495437
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
CID 102998829
2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
CID 107495156
2-tert-butyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80964814
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80799090
4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
CID 80815785
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80961332

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495264) is 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CCNc1cc(N(CCO)CC(F)(F)F)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is MGNBQMSKCIWQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-2-15-7-5-8(17-9(14)16-7)18(3-4-19)6-10(11,12)13/h5,19H,2-4,6H2,1H3,(H3,14,15,16,17).
What are the key properties of 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 279.27 g/mol, XLogP of 0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).