[1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol

C12H18FN3O — CID 131947034

IUPAC[1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol
SMILESCN(CC1(CO)CCCC1)c1ncc(F)cn1
InChIInChI=1S/C12H18FN3O/c1-16(11-14-6-10(13)7-15-11)8-12(9-17)4-2-3-5-12/h6-7,17H,2-5,8-9H2,1H3
InChIKeyWVYMIHUFTOKAJT-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.60
Rot. Bonds4

About [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol

[1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol (PubChem CID 131947034) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol
PubChem CID131947034
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name[1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol
SMILESCN(CC1(CO)CCCC1)c1ncc(F)cn1
InChIInChI=1S/C12H18FN3O/c1-16(11-14-6-10(13)7-15-11)8-12(9-17)4-2-3-5-12/h6-7,17H,2-5,8-9H2,1H3
InChIKeyWVYMIHUFTOKAJT-UHFFFAOYSA-N
XLogP1.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol (CID 131947034) is [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol is CN(CC1(CO)CCCC1)c1ncc(F)cn1.
What is the InChIKey of [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol?
The InChIKey is WVYMIHUFTOKAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-16(11-14-6-10(13)7-15-11)8-12(9-17)4-2-3-5-12/h6-7,17H,2-5,8-9H2,1H3.
What are the key properties of [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol?
[1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol has a molecular weight of 239.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 131947034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).