1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol

C20H16F3N3O — CID 118307604

IUPAC1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)17-8-11-24-18(26-17)25-16-12-14(13-4-2-1-3-5-13)6-7-15(16)19(27)9-10-19/h1-8,11-12,27H,9-10H2,(H,24,25,26)
InChIKeyBYAWWJAFSOQUFW-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.89
Rot. Bonds4

About 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol

1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol (PubChem CID 118307604) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol
PubChem CID118307604
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2Nc2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)17-8-11-24-18(26-17)25-16-12-14(13-4-2-1-3-5-13)6-7-15(16)19(27)9-10-19/h1-8,11-12,27H,9-10H2,(H,24,25,26)
InChIKeyBYAWWJAFSOQUFW-UHFFFAOYSA-N
XLogP4.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol (CID 118307604) is 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol is OC1(c2ccc(-c3ccccc3)cc2Nc2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol?
The InChIKey is BYAWWJAFSOQUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)17-8-11-24-18(26-17)25-16-12-14(13-4-2-1-3-5-13)6-7-15(16)19(27)9-10-19/h1-8,11-12,27H,9-10H2,(H,24,25,26).
What are the key properties of 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol?
1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol has a molecular weight of 371.36 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]cyclopropan-1-ol is sourced from PubChem (CID 118307604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).