3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione

C15H25N3O2 — CID 655968

IUPAC3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCCN1CCCC1
InChIInChI=1S/C15H25N3O2/c1-13-12-14(19)16(2)15(20)18(13)11-5-3-4-8-17-9-6-7-10-17/h12H,3-11H2,1-2H3
InChIKeyZRLSCSUWGPXHFZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.12
Rot. Bonds6

About 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione

3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione (PubChem CID 655968) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione
PubChem CID655968
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCCCN1CCCC1
InChIInChI=1S/C15H25N3O2/c1-13-12-14(19)16(2)15(20)18(13)11-5-3-4-8-17-9-6-7-10-17/h12H,3-11H2,1-2H3
InChIKeyZRLSCSUWGPXHFZ-UHFFFAOYSA-N
XLogP1.12
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione (CID 655968) is 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCCCCN1CCCC1.
What is the InChIKey of 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione?
The InChIKey is ZRLSCSUWGPXHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13-12-14(19)16(2)15(20)18(13)11-5-3-4-8-17-9-6-7-10-17/h12H,3-11H2,1-2H3.
What are the key properties of 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione?
3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(5-pyrrolidin-1-ylpentyl)pyrimidine-2,4-dione is sourced from PubChem (CID 655968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).