6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione

C12H18N2O2 — CID 122239182

IUPAC6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-8(2)14-11(15)7-10(13-12(14)16)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)
InChIKeyCLOPFEZONRGRTQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.78
Rot. Bonds2

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

6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 122239182) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID122239182
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-8(2)14-11(15)7-10(13-12(14)16)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16)
InChIKeyCLOPFEZONRGRTQ-UHFFFAOYSA-N
XLogP1.78
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione (CID 122239182) is 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)n1c(=O)cc(C2CCCC2)[nH]c1=O.
What is the InChIKey of 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is CLOPFEZONRGRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)14-11(15)7-10(13-12(14)16)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione?
6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).