2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

C10H11F3N4O — CID 110430317

IUPAC2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1cc2c(NCCO)nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C10H11F3N4O/c1-5-4-6-7(14-2-3-18)16-9(10(11,12)13)17-8(6)15-5/h4,18H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyDMKKBIKCZPSJKZ-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.69
Rot. Bonds3

About 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol

2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 110430317) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
PubChem CID110430317
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
SMILESCc1cc2c(NCCO)nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C10H11F3N4O/c1-5-4-6-7(14-2-3-18)16-9(10(11,12)13)17-8(6)15-5/h4,18H,2-3H2,1H3,(H2,14,15,16,17)
InChIKeyDMKKBIKCZPSJKZ-UHFFFAOYSA-N
XLogP1.69
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 110430697
6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430884
3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 110430716
N-[(2-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431121
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430777
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431070
3-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenol
CID 110430753
4-methyl-2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenol
CID 110430911
4-methylsulfanyl-2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]butanoic acid
CID 110431200
methyl 4-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 110431226
3-N,3-N-dimethyl-1-N-[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzene-1,3-diamine
CID 110431058

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol (CID 110430317) is 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is Cc1cc2c(NCCO)nc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is DMKKBIKCZPSJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c1-5-4-6-7(14-2-3-18)16-9(10(11,12)13)17-8(6)15-5/h4,18H,2-3H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol?
2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 260.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 110430317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).