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

C12H18FN3O — CID 103837873

IUPAC1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCc1ncnc(N(C)CC2(O)CCCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-9-10(13)11(15-8-14-9)16(2)7-12(17)5-3-4-6-12/h8,17H,3-7H2,1-2H3
InChIKeyJOYMEWZISXBRDI-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.67
Rot. Bonds3

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

1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 103837873) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID103837873
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCc1ncnc(N(C)CC2(O)CCCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-9-10(13)11(15-8-14-9)16(2)7-12(17)5-3-4-6-12/h8,17H,3-7H2,1-2H3
InChIKeyJOYMEWZISXBRDI-UHFFFAOYSA-N
XLogP1.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(5-fluoro-6-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 118056446
3-Cyclopropyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-ol
CID 102677296
3-[[(5-Fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 102809546
[1-(5-Fluoro-6-methylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102809627
1-(5-Fluoro-6-methylpyrimidin-4-yl)-3-methylazetidin-3-ol
CID 102975939
3-Cyclopropyl-1-(5-fluoro-6-methylpyrimidin-4-yl)azetidin-3-ol
CID 102975982
1-(5-Fluoro-6-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-ol
CID 102975990
3-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103269839
2-[(5-Fluoro-6-methylpyrimidin-4-yl)-propylamino]ethanol
CID 103703324
[2-[(5-Fluoro-6-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 103703711
2-[1-(5-Fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 103703757
2-[[(5-Fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103704222

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol (CID 103837873) is 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is Cc1ncnc(N(C)CC2(O)CCCC2)c1F.
What is the InChIKey of 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is JOYMEWZISXBRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9-10(13)11(15-8-14-9)16(2)7-12(17)5-3-4-6-12/h8,17H,3-7H2,1-2H3.
What are the key properties of 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-fluoro-6-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103837873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).