3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol

C12H20FN3O — CID 103867502

IUPAC3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCc1ncnc(NCC(O)(CC)CC)c1F
InChIInChI=1S/C12H20FN3O/c1-4-9-10(13)11(16-8-15-9)14-7-12(17,5-2)6-3/h8,17H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyOGBLVZBDESSZAJ-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.14
Rot. Bonds6

About 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol

3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 103867502) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID103867502
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC Name3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCc1ncnc(NCC(O)(CC)CC)c1F
InChIInChI=1S/C12H20FN3O/c1-4-9-10(13)11(16-8-15-9)14-7-12(17,5-2)6-3/h8,17H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyOGBLVZBDESSZAJ-UHFFFAOYSA-N
XLogP2.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 103867502) is 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol is CCc1ncnc(NCC(O)(CC)CC)c1F.
What is the InChIKey of 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is OGBLVZBDESSZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-4-9-10(13)11(16-8-15-9)14-7-12(17,5-2)6-3/h8,17H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 241.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 103867502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).