1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C12H18N2O3 — CID 112599268

IUPAC1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)7-8-5-3-4-6-8/h8,16H,2-7H2,1H3,(H,13,15,17)
InChIKeyKQOVXQSPNWXSJD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.99
Rot. Bonds3

About 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599268) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112599268
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)7-8-5-3-4-6-8/h8,16H,2-7H2,1H3,(H,13,15,17)
InChIKeyKQOVXQSPNWXSJD-UHFFFAOYSA-N
XLogP0.99
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112599268) is 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(CC2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is KQOVXQSPNWXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-9-10(15)13-12(17)14(11(9)16)7-8-5-3-4-6-8/h8,16H,2-7H2,1H3,(H,13,15,17).
What are the key properties of 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).