5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione

C10H13BrN2O2 — CID 107104093

IUPAC5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Br)c(=O)n1CC1CCCC1
InChIInChI=1S/C10H13BrN2O2/c11-8-5-12-10(15)13(9(8)14)6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,12,15)
InChIKeyFSNAJFXRVHKSHI-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.49
Rot. Bonds2

About 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione

5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 107104093) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID107104093
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Br)c(=O)n1CC1CCCC1
InChIInChI=1S/C10H13BrN2O2/c11-8-5-12-10(15)13(9(8)14)6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,12,15)
InChIKeyFSNAJFXRVHKSHI-UHFFFAOYSA-N
XLogP1.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione (CID 107104093) is 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(Br)c(=O)n1CC1CCCC1.
What is the InChIKey of 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FSNAJFXRVHKSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-8-5-12-10(15)13(9(8)14)6-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,12,15).
What are the key properties of 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione?
5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 273.13 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopentylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107104093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).