4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C13H20FN3O — CID 113305721

IUPAC4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(F)ncn2)CC1
InChIInChI=1S/C13H20FN3O/c1-2-10-3-5-13(18,6-4-10)8-15-12-7-11(14)16-9-17-12/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyHFVXGOVFAAKEEU-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.36
Rot. Bonds4

About 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 113305721) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID113305721
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(F)ncn2)CC1
InChIInChI=1S/C13H20FN3O/c1-2-10-3-5-13(18,6-4-10)8-15-12-7-11(14)16-9-17-12/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyHFVXGOVFAAKEEU-UHFFFAOYSA-N
XLogP2.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 113305721) is 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNc2cc(F)ncn2)CC1.
What is the InChIKey of 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HFVXGOVFAAKEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-2-10-3-5-13(18,6-4-10)8-15-12-7-11(14)16-9-17-12/h7,9-10,18H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 113305721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).