1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol

C15H13F6N3O — CID 88932520

IUPAC1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol
SMILESOC(CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F
InChIInChI=1S/C15H13F6N3O/c16-14(17,18)10-3-1-9(2-4-10)13-23-6-5-11(24-13)7-22-8-12(25)15(19,20)21/h1-6,12,22,25H,7-8H2
InChIKeyOPQTXABBASEIKQ-UHFFFAOYSA-N
MW365.28 g/mol
LogP3.18
Rot. Bonds5

About 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol

1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol (PubChem CID 88932520) has the molecular formula C15H13F6N3O and a molecular weight of 365.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol
PubChem CID88932520
Molecular FormulaC15H13F6N3O
Molecular Weight365.28 g/mol
Exact Mass365.10
IUPAC Name1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol
SMILESOC(CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F
InChIInChI=1S/C15H13F6N3O/c16-14(17,18)10-3-1-9(2-4-10)13-23-6-5-11(24-13)7-22-8-12(25)15(19,20)21/h1-6,12,22,25H,7-8H2
InChIKeyOPQTXABBASEIKQ-UHFFFAOYSA-N
XLogP3.18
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

(1R)-2-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918507
N-(2-methoxyethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234309
N-(2-Methoxyethyl)-2-(2-(trifluoromethyl)phenyl)pyrimidin-4-amine
CID 3234764
2-(4-(4-(4-(trifluoromethyl)phenylamino)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-2-yl)piperazin-1-yl)ethanol
CID 53321779
2-Phenyl-4-(trifluoromethyl)pyrimidine
CID 2795672
(2R)-2-[[5-fluoro-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]-3-methylbutan-1-ol
CID 68312583
2-{Methyl-[4-pyrrolidin-3-yl-6-(4-trifluoromethyl-pyridin-2-ylamino)-pyrimidin-2-yl]-amino}-ethanol
CID 117685450
1-[[4-(3,5-Difluoroanilino)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 117799047
US9840501, Example 71
CID 118484407
Example 18
CID 135389157
US11629136, Example 7a
CID 168105948
US11629136, Example 7
CID 168105988

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol (CID 88932520) is 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol is OC(CNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol?
The InChIKey is OPQTXABBASEIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N3O/c16-14(17,18)10-3-1-9(2-4-10)13-23-6-5-11(24-13)7-22-8-12(25)15(19,20)21/h1-6,12,22,25H,7-8H2.
What are the key properties of 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol?
1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol has a molecular weight of 365.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylamino]propan-2-ol is sourced from PubChem (CID 88932520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).