2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C11H11BrN2O2S — CID 63612642

IUPAC2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2cc(Br)cs2)[nH]c1=O
InChIInChI=1S/C11H11BrN2O2S/c1-2-3-7-10(15)13-9(14-11(7)16)8-4-6(12)5-17-8/h4-5H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyPUQCVNOGCIIVNM-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63612642) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63612642
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2cc(Br)cs2)[nH]c1=O
InChIInChI=1S/C11H11BrN2O2S/c1-2-3-7-10(15)13-9(14-11(7)16)8-4-6(12)5-17-8/h4-5H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyPUQCVNOGCIIVNM-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63612642) is 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(-c2cc(Br)cs2)[nH]c1=O.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is PUQCVNOGCIIVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-2-3-7-10(15)13-9(14-11(7)16)8-4-6(12)5-17-8/h4-5H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 315.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).