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

C17H23N3O2 — CID 56717276

IUPAC[1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol
SMILESCN(Cc1cnc(-c2ccco2)nc1)CC1(CO)CCCC1
InChIInChI=1S/C17H23N3O2/c1-20(12-17(13-21)6-2-3-7-17)11-14-9-18-16(19-10-14)15-5-4-8-22-15/h4-5,8-10,21H,2-3,6-7,11-13H2,1H3
InChIKeyJHEMMQSXPNJEDL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.72
Rot. Bonds6

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

[1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol (PubChem CID 56717276) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol
PubChem CID56717276
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol
SMILESCN(Cc1cnc(-c2ccco2)nc1)CC1(CO)CCCC1
InChIInChI=1S/C17H23N3O2/c1-20(12-17(13-21)6-2-3-7-17)11-14-9-18-16(19-10-14)15-5-4-8-22-15/h4-5,8-10,21H,2-3,6-7,11-13H2,1H3
InChIKeyJHEMMQSXPNJEDL-UHFFFAOYSA-N
XLogP2.72
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol (CID 56717276) is [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol is CN(Cc1cnc(-c2ccco2)nc1)CC1(CO)CCCC1.
What is the InChIKey of [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol?
The InChIKey is JHEMMQSXPNJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20(12-17(13-21)6-2-3-7-17)11-14-9-18-16(19-10-14)15-5-4-8-22-15/h4-5,8-10,21H,2-3,6-7,11-13H2,1H3.
What are the key properties of [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol?
[1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol has a molecular weight of 301.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(furan-2-yl)pyrimidin-5-yl]methyl-methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 56717276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).