5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C10H13ClN4O2 — CID 114582475

IUPAC5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C10H13ClN4O2/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-3-1-2-4-14/h6H,1-5,12H2
InChIKeyVIPDHQBIHZBDIF-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.10
Rot. Bonds2

About 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582475) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582475
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C10H13ClN4O2/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-3-1-2-4-14/h6H,1-5,12H2
InChIKeyVIPDHQBIHZBDIF-UHFFFAOYSA-N
XLogP0.10
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114582475) is 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is VIPDHQBIHZBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-3-1-2-4-14/h6H,1-5,12H2.
What are the key properties of 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 256.69 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).