4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one

C17H21N3O — CID 136730004

IUPAC4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
SMILESCN(C)c1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1
InChIInChI=1S/C17H21N3O/c1-20(2)14-9-7-13(8-10-14)17-18-15(11-16(21)19-17)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyOPXBNQOXWNTLHS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.16
Rot. Bonds3

About 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one

4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one (PubChem CID 136730004) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
PubChem CID136730004
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one
SMILESCN(C)c1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1
InChIInChI=1S/C17H21N3O/c1-20(2)14-9-7-13(8-10-14)17-18-15(11-16(21)19-17)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,18,19,21)
InChIKeyOPXBNQOXWNTLHS-UHFFFAOYSA-N
XLogP3.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one (CID 136730004) is 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one is CN(C)c1ccc(-c2nc(C3CCCC3)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one?
The InChIKey is OPXBNQOXWNTLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(2)14-9-7-13(8-10-14)17-18-15(11-16(21)19-17)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H,18,19,21).
What are the key properties of 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one?
4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one has a molecular weight of 283.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-[4-(dimethylamino)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).