2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C12H19F3N4O — CID 114564384

IUPAC2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C12H19F3N4O/c1-3-4-5-19(6-7-20)10-8-9(12(13,14)15)17-11(16-2)18-10/h8,20H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyYWVQRSCCQNLACH-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.14
Rot. Bonds7

About 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 114564384) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID114564384
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCCCN(CCO)c1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C12H19F3N4O/c1-3-4-5-19(6-7-20)10-8-9(12(13,14)15)17-11(16-2)18-10/h8,20H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyYWVQRSCCQNLACH-UHFFFAOYSA-N
XLogP2.14
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxyethyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114565799
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 102875645
2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961548
4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 106659304
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961851
2-N-ethyl-4-N-methyl-4-N-pentyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564013
4-N-ethyl-4-N-(furan-2-ylmethyl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564325
1-[ethyl-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567378

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 114564384) is 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is CCCCN(CCO)c1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is YWVQRSCCQNLACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-4-5-19(6-7-20)10-8-9(12(13,14)15)17-11(16-2)18-10/h8,20H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 292.31 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 114564384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).