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

C17H15F3N4O2 — CID 133490846

IUPAC3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
SMILESOCCC(Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccco1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)14-9-15(22-12(5-7-25)13-4-2-8-26-13)24-16(23-14)11-3-1-6-21-10-11/h1-4,6,8-10,12,25H,5,7H2,(H,22,23,24)
InChIKeyIEPOXMITOWAXFC-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.69
Rot. Bonds6

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

3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 133490846) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID133490846
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
SMILESOCCC(Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccco1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)14-9-15(22-12(5-7-25)13-4-2-8-26-13)24-16(23-14)11-3-1-6-21-10-11/h1-4,6,8-10,12,25H,5,7H2,(H,22,23,24)
InChIKeyIEPOXMITOWAXFC-UHFFFAOYSA-N
XLogP3.69
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(5-methylfuran-2-yl)-1-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133353265
3-(furan-2-yl)-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 133490704
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
3-(furan-2-yl)-3-(pyrido[2,3-b]pyrazin-6-ylamino)propan-1-ol
CID 133493774
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
methyl 2,2,3-trimethyl-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 133350083
N-[1-(furan-2-yl)-3-hydroxypropyl]-2-(trifluoromethyl)pyridine-3-sulfonamide
CID 138999345
N-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133380378
6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile
CID 133490796
6-(benzenesulfonylmethyl)-N-propan-2-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 1489533
N-(5-methoxy-2-methylphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 10269879
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 136526304

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol (CID 133490846) is 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol is OCCC(Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is IEPOXMITOWAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)14-9-15(22-12(5-7-25)13-4-2-8-26-13)24-16(23-14)11-3-1-6-21-10-11/h1-4,6,8-10,12,25H,5,7H2,(H,22,23,24).
What are the key properties of 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol?
3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 364.33 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 133490846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).