1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione

C11H16FN3O2 — CID 55220472

IUPAC1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCNC2CCCC2)cc1F
InChIInChI=1S/C11H16FN3O2/c12-9-7-15(11(17)14-10(9)16)6-5-13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H,14,16,17)
InChIKeyLLTOGWSGIDIHCM-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.21
Rot. Bonds4

About 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione

1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 55220472) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID55220472
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCNC2CCCC2)cc1F
InChIInChI=1S/C11H16FN3O2/c12-9-7-15(11(17)14-10(9)16)6-5-13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H,14,16,17)
InChIKeyLLTOGWSGIDIHCM-UHFFFAOYSA-N
XLogP0.21
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione (CID 55220472) is 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCNC2CCCC2)cc1F.
What is the InChIKey of 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is LLTOGWSGIDIHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c12-9-7-15(11(17)14-10(9)16)6-5-13-8-3-1-2-4-8/h7-8,13H,1-6H2,(H,14,16,17).
What are the key properties of 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione?
1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 241.27 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylamino)ethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 55220472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).