3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

C11H16FN3O — CID 102809546

IUPAC3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1ncnc(N(C)CC2CC(O)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15(2)5-8-3-9(16)4-8/h6,8-9,16H,3-5H2,1-2H3
InChIKeyIHLOTMAHTKUZAW-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.13
Rot. Bonds3

About 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol

3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 102809546) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID102809546
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1ncnc(N(C)CC2CC(O)C2)c1F
InChIInChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15(2)5-8-3-9(16)4-8/h6,8-9,16H,3-5H2,1-2H3
InChIKeyIHLOTMAHTKUZAW-UHFFFAOYSA-N
XLogP1.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(5-iodopyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 66320423
3-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856418
5-fluoro-N,6-dimethyl-N-prop-2-ynylpyrimidin-4-amine
CID 130709678
5-fluoro-N,6-dimethyl-N-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163344230
5-fluoro-N,6-dimethyl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 155974837
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80921680
3-[[[5-(aminomethyl)-3-methyl-2-pyridinyl]-methylamino]methyl]cyclobutan-1-ol
CID 80636101
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 81133179
5-fluoro-N-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-N,6-dimethylpyrimidin-4-amine
CID 163344006
5-fluoro-N,6-dimethyl-N-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163348541
3-[[methyl-(5-methylpyridazin-3-yl)amino]methyl]cyclobutan-1-ol
CID 106550382

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol (CID 102809546) is 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is Cc1ncnc(N(C)CC2CC(O)C2)c1F.
What is the InChIKey of 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is IHLOTMAHTKUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-10(12)11(14-6-13-7)15(2)5-8-3-9(16)4-8/h6,8-9,16H,3-5H2,1-2H3.
What are the key properties of 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 225.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 102809546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).