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

C12H17F3N4O — CID 106770398

IUPAC4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1cc(NC2CCC(O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-9-6-10(19-11(18-9)12(13,14)15)17-7-2-4-8(20)5-3-7/h6-8,20H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeySCSUPRWRKSFJCI-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.25
Rot. Bonds3

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

4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 106770398) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID106770398
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1cc(NC2CCC(O)CC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-16-9-6-10(19-11(18-9)12(13,14)15)17-7-2-4-8(20)5-3-7/h6-8,20H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeySCSUPRWRKSFJCI-UHFFFAOYSA-N
XLogP2.25
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 106770398) is 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol is CNc1cc(NC2CCC(O)CC2)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is SCSUPRWRKSFJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-16-9-6-10(19-11(18-9)12(13,14)15)17-7-2-4-8(20)5-3-7/h6-8,20H,2-5H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 290.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 106770398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).