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

C11H15F3N4O — CID 175349950

IUPAC4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESNc1ncc(C(F)(F)F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-5-16-10(15)18-9(8)17-6-1-3-7(19)4-2-6/h5-7,19H,1-4H2,(H3,15,16,17,18)
InChIKeyKVNDSPPAJLUMQY-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.79
Rot. Bonds2

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

4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 175349950) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID175349950
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESNc1ncc(C(F)(F)F)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-5-16-10(15)18-9(8)17-6-1-3-7(19)4-2-6/h5-7,19H,1-4H2,(H3,15,16,17,18)
InChIKeyKVNDSPPAJLUMQY-UHFFFAOYSA-N
XLogP1.79
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 175349950) is 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol is Nc1ncc(C(F)(F)F)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is KVNDSPPAJLUMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-5-16-10(15)18-9(8)17-6-1-3-7(19)4-2-6/h5-7,19H,1-4H2,(H3,15,16,17,18).
What are the key properties of 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 276.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 175349950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).