[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C12H18FN3O — CID 104881323

IUPAC[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1ncnc(NCC2(CO)CCCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-9-10(13)11(16-8-15-9)14-6-12(7-17)4-2-3-5-12/h8,17H,2-7H2,1H3,(H,14,15,16)
InChIKeyOQQRKEKSQBYRDZ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.89
Rot. Bonds4

About [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 104881323) 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)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID104881323
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCc1ncnc(NCC2(CO)CCCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-9-10(13)11(16-8-15-9)14-6-12(7-17)4-2-3-5-12/h8,17H,2-7H2,1H3,(H,14,15,16)
InChIKeyOQQRKEKSQBYRDZ-UHFFFAOYSA-N
XLogP1.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 104881323) is [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is Cc1ncnc(NCC2(CO)CCCC2)c1F.
What is the InChIKey of [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is OQQRKEKSQBYRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9-10(13)11(16-8-15-9)14-6-12(7-17)4-2-3-5-12/h8,17H,2-7H2,1H3,(H,14,15,16).
What are the key properties of [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 104881323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).