5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one

C13H21N3O2 — CID 112569342

IUPAC5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)CCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-16(2)8-7-10-14-12(17)11(13(18)15-10)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyDMBIDVUUNQYHCL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.24
Rot. Bonds4

About 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one

5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 112569342) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID112569342
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)CCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-16(2)8-7-10-14-12(17)11(13(18)15-10)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyDMBIDVUUNQYHCL-UHFFFAOYSA-N
XLogP1.24
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one (CID 112569342) is 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one is CN(C)CCc1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DMBIDVUUNQYHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(2)8-7-10-14-12(17)11(13(18)15-10)9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 112569342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).