4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol

C17H19F3N4O2 — CID 22380362

IUPAC4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESNc1ncc(Oc2ccc(C(F)(F)F)cc2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)10-1-7-13(8-2-10)26-14-9-22-16(21)24-15(14)23-11-3-5-12(25)6-4-11/h1-2,7-9,11-12,25H,3-6H2,(H3,21,22,23,24)
InChIKeyKYSVAXWLMIATAL-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.59
Rot. Bonds4

About 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 22380362) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID22380362
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESNc1ncc(Oc2ccc(C(F)(F)F)cc2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)10-1-7-13(8-2-10)26-14-9-22-16(21)24-15(14)23-11-3-5-12(25)6-4-11/h1-2,7-9,11-12,25H,3-6H2,(H3,21,22,23,24)
InChIKeyKYSVAXWLMIATAL-UHFFFAOYSA-N
XLogP3.59
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 22380362) is 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol is Nc1ncc(Oc2ccc(C(F)(F)F)cc2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is KYSVAXWLMIATAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)10-1-7-13(8-2-10)26-14-9-22-16(21)24-15(14)23-11-3-5-12(25)6-4-11/h1-2,7-9,11-12,25H,3-6H2,(H3,21,22,23,24).
What are the key properties of 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 368.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-[4-(trifluoromethyl)phenoxy]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 22380362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).