4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol

C13H19F3N4O — CID 106770397

IUPAC4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCNc1cc(NC2CCC(O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-10-7-11(20-12(19-10)13(14,15)16)18-8-3-5-9(21)6-4-8/h7-9,21H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyPHQKIBOUIBGTFQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.64
Rot. Bonds4

About 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 106770397) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID106770397
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCNc1cc(NC2CCC(O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-10-7-11(20-12(19-10)13(14,15)16)18-8-3-5-9(21)6-4-8/h7-9,21H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyPHQKIBOUIBGTFQ-UHFFFAOYSA-N
XLogP2.64
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 106770397) is 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCNc1cc(NC2CCC(O)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is PHQKIBOUIBGTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-17-10-7-11(20-12(19-10)13(14,15)16)18-8-3-5-9(21)6-4-8/h7-9,21H,2-6H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 304.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 106770397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).