1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one

C14H12BrN3O2 — CID 168704107

IUPAC1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)12-5-6-16-14(17-12)18-8-11(19)7-13(18)20/h1-6,11,19H,7-8H2
InChIKeyAIXZBLZQIBNPMN-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.00
Rot. Bonds2

About 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one

1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one (PubChem CID 168704107) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
PubChem CID168704107
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nccc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)12-5-6-16-14(17-12)18-8-11(19)7-13(18)20/h1-6,11,19H,7-8H2
InChIKeyAIXZBLZQIBNPMN-UHFFFAOYSA-N
XLogP2.00
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one (CID 168704107) is 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1nccc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one?
The InChIKey is AIXZBLZQIBNPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c15-10-3-1-9(2-4-10)12-5-6-16-14(17-12)18-8-11(19)7-13(18)20/h1-6,11,19H,7-8H2.
What are the key properties of 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one?
1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one has a molecular weight of 334.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)pyrimidin-2-yl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168704107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).