3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione

C12H18N2O2 — CID 154109395

IUPAC3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-2-5-9-8-11(15)14(12(16)13-9)10-6-3-4-7-10/h8,10H,2-7H2,1H3,(H,13,16)
InChIKeyUHBFUJBYEZILFL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.60
Rot. Bonds3

About 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione

3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione (PubChem CID 154109395) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione
PubChem CID154109395
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1cc(=O)n(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-2-5-9-8-11(15)14(12(16)13-9)10-6-3-4-7-10/h8,10H,2-7H2,1H3,(H,13,16)
InChIKeyUHBFUJBYEZILFL-UHFFFAOYSA-N
XLogP1.60
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione (CID 154109395) is 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione is CCCc1cc(=O)n(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is UHBFUJBYEZILFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-5-9-8-11(15)14(12(16)13-9)10-6-3-4-7-10/h8,10H,2-7H2,1H3,(H,13,16).
What are the key properties of 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione?
3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154109395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).