3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol

C14H23FN4O — CID 167147041

IUPAC3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCC(C)(C)Nc1ncc(F)c(NC2CCCC(O)C2)n1
InChIInChI=1S/C14H23FN4O/c1-14(2,3)19-13-16-8-11(15)12(18-13)17-9-5-4-6-10(20)7-9/h8-10,20H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyJEVRCJFJKXBLTK-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.54
Rot. Bonds3

About 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol

3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 167147041) has the molecular formula C14H23FN4O and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID167147041
Molecular FormulaC14H23FN4O
Molecular Weight282.36 g/mol
Exact Mass282.19
IUPAC Name3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCC(C)(C)Nc1ncc(F)c(NC2CCCC(O)C2)n1
InChIInChI=1S/C14H23FN4O/c1-14(2,3)19-13-16-8-11(15)12(18-13)17-9-5-4-6-10(20)7-9/h8-10,20H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyJEVRCJFJKXBLTK-UHFFFAOYSA-N
XLogP2.54
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol (CID 167147041) is 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol is CC(C)(C)Nc1ncc(F)c(NC2CCCC(O)C2)n1.
What is the InChIKey of 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is JEVRCJFJKXBLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O/c1-14(2,3)19-13-16-8-11(15)12(18-13)17-9-5-4-6-10(20)7-9/h8-10,20H,4-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 282.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 167147041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).