2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

C18H17F3N4O2 — CID 133353265

IUPAC2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)o1
InChIInChI=1S/C18H17F3N4O2/c1-11-5-6-14(27-11)17(2,26)10-23-15-8-13(18(19,20)21)24-16(25-15)12-4-3-7-22-9-12/h3-9,26H,10H2,1-2H3,(H,23,24,25)
InChIKeyQCULWYGPKCDPBK-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.78
Rot. Bonds5

About 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol

2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 133353265) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID133353265
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCc1ccc(C(C)(O)CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)o1
InChIInChI=1S/C18H17F3N4O2/c1-11-5-6-14(27-11)17(2,26)10-23-15-8-13(18(19,20)21)24-16(25-15)12-4-3-7-22-9-12/h3-9,26H,10H2,1-2H3,(H,23,24,25)
InChIKeyQCULWYGPKCDPBK-UHFFFAOYSA-N
XLogP3.78
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380378
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 136526304
methyl 2,2,3-trimethyl-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 133350083
(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-pyridin-3-ylquinazolin-4-yl)amino]butan-2-ol
CID 30282621
N-(5-methoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 10269879
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
3,4-diethyl-5-[[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-1H-pyridazin-6-one
CID 133367453
3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 133490846
(2R)-1-[[(R)-(4-fluorophenyl)-pyridin-3-ylmethyl]amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 100684989
6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302283
2-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carbonitrile
CID 133353245
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol (CID 133353265) is 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is Cc1ccc(C(C)(O)CNc2cc(C(F)(F)F)nc(-c3cccnc3)n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is QCULWYGPKCDPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-11-5-6-14(27-11)17(2,26)10-23-15-8-13(18(19,20)21)24-16(25-15)12-4-3-7-22-9-12/h3-9,26H,10H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol?
2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 378.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 133353265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).