4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C13H20FN3O — CID 106130589

IUPAC4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCc1ncnc(NCC2CCC(O)CC2)c1F
InChIInChI=1S/C13H20FN3O/c1-2-11-12(14)13(17-8-16-11)15-7-9-3-5-10(18)6-4-9/h8-10,18H,2-7H2,1H3,(H,15,16,17)
InChIKeySKIWBFDLKIEATC-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.14
Rot. Bonds4

About 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106130589) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106130589
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCc1ncnc(NCC2CCC(O)CC2)c1F
InChIInChI=1S/C13H20FN3O/c1-2-11-12(14)13(17-8-16-11)15-7-9-3-5-10(18)6-4-9/h8-10,18H,2-7H2,1H3,(H,15,16,17)
InChIKeySKIWBFDLKIEATC-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106130589) is 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CCc1ncnc(NCC2CCC(O)CC2)c1F.
What is the InChIKey of 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is SKIWBFDLKIEATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-2-11-12(14)13(17-8-16-11)15-7-9-3-5-10(18)6-4-9/h8-10,18H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).