2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol

C18H20F3N3O — CID 133302722

IUPAC2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCC(Nc1ccnc(C2CC2)n1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3N3O/c1-2-14(23-15-9-10-22-17(24-15)12-3-4-12)16(25)11-5-7-13(8-6-11)18(19,20)21/h5-10,12,14,16,25H,2-4H2,1H3,(H,22,23,24)
InChIKeyWLOAZJDCTDUXCQ-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.30
Rot. Bonds6

About 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol

2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 133302722) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID133302722
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCC(Nc1ccnc(C2CC2)n1)C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3N3O/c1-2-14(23-15-9-10-22-17(24-15)12-3-4-12)16(25)11-5-7-13(8-6-11)18(19,20)21/h5-10,12,14,16,25H,2-4H2,1H3,(H,22,23,24)
InChIKeyWLOAZJDCTDUXCQ-UHFFFAOYSA-N
XLogP4.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol with MolForge

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Related Compounds

N-[(1S,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyridine-4-carboxamide
CID 97237273
(1S,2R)-2-(1H-pyrrol-3-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 97048205
(1S,2S)-2-(1H-pyrrol-3-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 97048204
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-1,7-naphthyridine-3-carboxamide
CID 166179220
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
2-amino-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 43566144
3-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-thiadiazol-5-amine
CID 133335502
N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 75447518
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
(2S)-2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 122050186
1-[(1S,2R)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-methoxyethyl)urea
CID 96530958

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol (CID 133302722) is 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol is CCC(Nc1ccnc(C2CC2)n1)C(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is WLOAZJDCTDUXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-2-14(23-15-9-10-22-17(24-15)12-3-4-12)16(25)11-5-7-13(8-6-11)18(19,20)21/h5-10,12,14,16,25H,2-4H2,1H3,(H,22,23,24).
What are the key properties of 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol?
2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 351.37 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylpyrimidin-4-yl)amino]-1-[4-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 133302722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).