3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

C9H12FN3O — CID 115417135

IUPAC3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2cc(F)ncn2)C1
InChIInChI=1S/C9H12FN3O/c10-8-3-9(13-5-12-8)11-4-6-1-7(14)2-6/h3,5-7,14H,1-2,4H2,(H,11,12,13)
InChIKeyFCYDFMXOWZDWFG-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.80
Rot. Bonds3

About 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 115417135) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
PubChem CID115417135
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
SMILESOC1CC(CNc2cc(F)ncn2)C1
InChIInChI=1S/C9H12FN3O/c10-8-3-9(13-5-12-8)11-4-6-1-7(14)2-6/h3,5-7,14H,1-2,4H2,(H,11,12,13)
InChIKeyFCYDFMXOWZDWFG-UHFFFAOYSA-N
XLogP0.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
CID 114156479
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66331001
3-[[(6-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66006560
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
4-[(6-fluoropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 104966807
6-fluoro-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 115417210
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130861
3-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 112675958
4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137378
3-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104917710

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol (CID 115417135) is 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is OC1CC(CNc2cc(F)ncn2)C1.
What is the InChIKey of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is FCYDFMXOWZDWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-3-9(13-5-12-8)11-4-6-1-7(14)2-6/h3,5-7,14H,1-2,4H2,(H,11,12,13).
What are the key properties of 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol?
3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 197.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 115417135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).