trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol

C9H12FN3O — CID 139022856

IUPACtrans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol
SMILESCN(c1ncncc1F)[C@@H]1CC[C@H]1O
InChIInChI=1S/C9H12FN3O/c1-13(7-2-3-8(7)14)9-6(10)4-11-5-12-9/h4-5,7-8,14H,2-3H2,1H3/t7-,8-/m1/s1
InChIKeyIPJIDERYTLLJLG-HTQZYQBOSA-N
MW197.21 g/mol
LogP0.58
Rot. Bonds2

About trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol

trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol (PubChem CID 139022856) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol
PubChem CID139022856
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Nametrans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol
SMILESCN(c1ncncc1F)[C@@H]1CC[C@H]1O
InChIInChI=1S/C9H12FN3O/c1-13(7-2-3-8(7)14)9-6(10)4-11-5-12-9/h4-5,7-8,14H,2-3H2,1H3/t7-,8-/m1/s1
InChIKeyIPJIDERYTLLJLG-HTQZYQBOSA-N
XLogP0.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-aminopyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102631354
2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640251
5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine
CID 126920737
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126923012
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-fluoro-N-methylpyrimidin-4-amine
CID 126922338
2-[methyl(pyridin-2-yl)amino]cyclobutan-1-ol
CID 126856660
[4-[cyclobutyl(methyl)amino]pyrimidin-5-yl]methanol
CID 126974271
4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-4,5-diamine
CID 79918976
cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol
CID 131014562
2-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]-methylamino]cyclobutan-1-ol
CID 69353192
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 102635901

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol (CID 139022856) is trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol is CN(c1ncncc1F)[C@@H]1CC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol?
The InChIKey is IPJIDERYTLLJLG-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-13(7-2-3-8(7)14)9-6(10)4-11-5-12-9/h4-5,7-8,14H,2-3H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol?
trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol has a molecular weight of 197.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol is sourced from PubChem (CID 139022856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).