[1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol

C12H18FN3O2 — CID 122560704

IUPAC[1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol
SMILESCOc1nc(NCC2(CO)CCCC2)ncc1F
InChIInChI=1S/C12H18FN3O2/c1-18-10-9(13)6-14-11(16-10)15-7-12(8-17)4-2-3-5-12/h6,17H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyKXNGAQSPLMRWPS-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.59
Rot. Bonds5

About [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol

[1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 122560704) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol
PubChem CID122560704
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name[1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol
SMILESCOc1nc(NCC2(CO)CCCC2)ncc1F
InChIInChI=1S/C12H18FN3O2/c1-18-10-9(13)6-14-11(16-10)15-7-12(8-17)4-2-3-5-12/h6,17H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyKXNGAQSPLMRWPS-UHFFFAOYSA-N
XLogP1.59
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol (CID 122560704) is [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol is COc1nc(NCC2(CO)CCCC2)ncc1F.
What is the InChIKey of [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is KXNGAQSPLMRWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-18-10-9(13)6-14-11(16-10)15-7-12(8-17)4-2-3-5-12/h6,17H,2-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 255.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-fluoro-4-methoxypyrimidin-2-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 122560704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).