2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol

C19H18F3N5O — CID 118126859

IUPAC2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(C)(C)O)nn2)c1
InChIInChI=1S/C19H18F3N5O/c1-11-8-12(14-4-5-15(27-26-14)18(2,3)28)10-13(9-11)24-17-23-7-6-16(25-17)19(20,21)22/h4-10,28H,1-3H3,(H,23,24,25)
InChIKeyDITCOSALIOKGKV-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.23
Rot. Bonds4

About 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol

2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol (PubChem CID 118126859) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol
PubChem CID118126859
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(C)(C)O)nn2)c1
InChIInChI=1S/C19H18F3N5O/c1-11-8-12(14-4-5-15(27-26-14)18(2,3)28)10-13(9-11)24-17-23-7-6-16(25-17)19(20,21)22/h4-10,28H,1-3H3,(H,23,24,25)
InChIKeyDITCOSALIOKGKV-UHFFFAOYSA-N
XLogP4.23
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol with MolForge

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Related Compounds

2-(4-(2-(piperidin-1-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)phenyl)propan-2-ol
CID 24784683
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530274
2-(4-(2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-ylamino)phenyl)propan-2-ol
CID 52950142
1,1,1-Trifluoro-2-[4-[[2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]amino]phenyl]propan-2-ol
CID 58972549
1,1,1-Trifluoro-2-[4-[[2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]amino]phenyl]propan-2-ol
CID 58972590
2-[3-[3-Morpholin-4-yl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
CID 118307515
2-[3-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
CID 118307537
1-[4-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]cyclobutan-1-ol
CID 118307557
1-[4-Phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol
CID 118307604
1-[3-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]cyclobutan-1-ol
CID 118307624
(1R)-2,2-difluoro-1-[4-[3-(trifluoromethyl)-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]ethanol
CID 118307626
2-[4-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
CID 118307657

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol (CID 118126859) is 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(C)(C)O)nn2)c1.
What is the InChIKey of 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol?
The InChIKey is DITCOSALIOKGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-11-8-12(14-4-5-15(27-26-14)18(2,3)28)10-13(9-11)24-17-23-7-6-16(25-17)19(20,21)22/h4-10,28H,1-3H3,(H,23,24,25).
What are the key properties of 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol?
2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol has a molecular weight of 389.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 118126859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).