5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one

C10H13BrN2O2 — CID 102735205

IUPAC5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one
SMILESCc1ncn([C@H]2CCC[C@@H]2O)c(=O)c1Br
InChIInChI=1S/C10H13BrN2O2/c1-6-9(11)10(15)13(5-12-6)7-3-2-4-8(7)14/h5,7-8,14H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyXAJKWKSFXCDSSI-YUMQZZPRSA-N
MW273.13 g/mol
LogP1.40
Rot. Bonds1

About 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one

5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one (PubChem CID 102735205) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one
PubChem CID102735205
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one
SMILESCc1ncn([C@H]2CCC[C@@H]2O)c(=O)c1Br
InChIInChI=1S/C10H13BrN2O2/c1-6-9(11)10(15)13(5-12-6)7-3-2-4-8(7)14/h5,7-8,14H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyXAJKWKSFXCDSSI-YUMQZZPRSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one (CID 102735205) is 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one is Cc1ncn([C@H]2CCC[C@@H]2O)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one?
The InChIKey is XAJKWKSFXCDSSI-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-9(11)10(15)13(5-12-6)7-3-2-4-8(7)14/h5,7-8,14H,2-4H2,1H3/t7-,8-/m0/s1.
What are the key properties of 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one?
5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one has a molecular weight of 273.13 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 102735205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).