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

C9H13F3N4O — CID 107495365

IUPAC2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nc(N)cc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-6-14-7(13)4-8(15-6)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5H2,1H3,(H2,13,14,15)
InChIKeyMBPIQQQBTUVVMG-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.73
Rot. Bonds4

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

2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495365) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495365
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1nc(N)cc(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-6-14-7(13)4-8(15-6)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5H2,1H3,(H2,13,14,15)
InChIKeyMBPIQQQBTUVVMG-UHFFFAOYSA-N
XLogP0.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80796436
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495437
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495464
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
4-N,2-dimethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80847662
4-N-ethyl-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80775488
2-[[4-(hydroxymethyl)-6-propan-2-yl-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484677
4-N,4-N-bis(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 80794923
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
6-N-ethyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718090
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-(2-methoxyethyl)amino]ethanol
CID 102719240
4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955028

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495365) is 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Cc1nc(N)cc(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is MBPIQQQBTUVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-6-14-7(13)4-8(15-6)16(2-3-17)5-9(10,11)12/h4,17H,2-3,5H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 250.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).