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

C12H19N3O2 — CID 112569348

IUPAC5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-15(2)7-9-13-11(16)10(12(17)14-9)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H2,13,14,16,17)
InChIKeyKWEDLHCNUJMURS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds3

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

5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 112569348) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID112569348
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCN(C)Cc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-15(2)7-9-13-11(16)10(12(17)14-9)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H2,13,14,16,17)
InChIKeyKWEDLHCNUJMURS-UHFFFAOYSA-N
XLogP1.19
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 112569348) is 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is CN(C)Cc1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is KWEDLHCNUJMURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)7-9-13-11(16)10(12(17)14-9)8-5-3-4-6-8/h8H,3-7H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 112569348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).