1-cyclopentyl-5-methylpyrimidine-2,4-dione

C10H14N2O2 — CID 11557449

IUPAC1-cyclopentyl-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O2/c1-7-6-12(8-4-2-3-5-8)10(14)11-9(7)13/h6,8H,2-5H2,1H3,(H,11,13,14)
InChIKeyIQUQILIWXZCGRO-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.96
Rot. Bonds1

About 1-cyclopentyl-5-methylpyrimidine-2,4-dione

1-cyclopentyl-5-methylpyrimidine-2,4-dione (PubChem CID 11557449) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-cyclopentyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopentyl-5-methylpyrimidine-2,4-dione
PubChem CID11557449
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-cyclopentyl-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O2/c1-7-6-12(8-4-2-3-5-8)10(14)11-9(7)13/h6,8H,2-5H2,1H3,(H,11,13,14)
InChIKeyIQUQILIWXZCGRO-UHFFFAOYSA-N
XLogP0.96
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10352697
CID 96032
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CID 16724016
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CID 5246756
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CID 581039
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CID 23274062
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CID 23274565
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CID 10702254
CID 10702254

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-cyclopentyl-5-methylpyrimidine-2,4-dione (CID 11557449) is 1-cyclopentyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopentyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopentyl-5-methylpyrimidine-2,4-dione is Cc1cn(C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-cyclopentyl-5-methylpyrimidine-2,4-dione?
The InChIKey is IQUQILIWXZCGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-12(8-4-2-3-5-8)10(14)11-9(7)13/h6,8H,2-5H2,1H3,(H,11,13,14).
What are the key properties of 1-cyclopentyl-5-methylpyrimidine-2,4-dione?
1-cyclopentyl-5-methylpyrimidine-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11557449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).