2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

C13H19F3N4O — CID 114564596

IUPAC2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1nc(N(CCO)C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-5-17-12-18-10(13(14,15)16)8-11(19-12)20(6-7-21)9-3-4-9/h8-9,21H,2-7H2,1H3,(H,17,18,19)
InChIKeyUPJHEVYMEUQTEQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.28
Rot. Bonds7

About 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 114564596) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID114564596
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1nc(N(CCO)C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-5-17-12-18-10(13(14,15)16)8-11(19-12)20(6-7-21)9-3-4-9/h8-9,21H,2-7H2,1H3,(H,17,18,19)
InChIKeyUPJHEVYMEUQTEQ-UHFFFAOYSA-N
XLogP2.28
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 102875645
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565088
4-N-(2-ethoxyethyl)-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565531
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779
1-[methyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564867
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 102875727
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 114564596) is 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is CCCNc1nc(N(CCO)C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is UPJHEVYMEUQTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-5-17-12-18-10(13(14,15)16)8-11(19-12)20(6-7-21)9-3-4-9/h8-9,21H,2-7H2,1H3,(H,17,18,19).
What are the key properties of 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 304.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 114564596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).