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

C11H16FN3O — CID 103867516

IUPAC1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCCc1ncnc(NCC2(O)CCC2)c1F
InChIInChI=1S/C11H16FN3O/c1-2-8-9(12)10(15-7-14-8)13-6-11(16)4-3-5-11/h7,16H,2-6H2,1H3,(H,13,14,15)
InChIKeyZFNAFBGGHAEDGD-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.50
Rot. Bonds4

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

1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 103867516) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
PubChem CID103867516
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESCCc1ncnc(NCC2(O)CCC2)c1F
InChIInChI=1S/C11H16FN3O/c1-2-8-9(12)10(15-7-14-8)13-6-11(16)4-3-5-11/h7,16H,2-6H2,1H3,(H,13,14,15)
InChIKeyZFNAFBGGHAEDGD-UHFFFAOYSA-N
XLogP1.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (CID 103867516) is 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is CCc1ncnc(NCC2(O)CCC2)c1F.
What is the InChIKey of 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is ZFNAFBGGHAEDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-8-9(12)10(15-7-14-8)13-6-11(16)4-3-5-11/h7,16H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 225.27 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 103867516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).