2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid

C15H23N3O3 — CID 62992897

IUPAC2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CCCN2CCCC2)c(C)c1CC(=O)O
InChIInChI=1S/C15H23N3O3/c1-11-13(10-14(19)20)12(2)18(15(21)16-11)9-5-8-17-6-3-4-7-17/h3-10H2,1-2H3,(H,19,20)
InChIKeyHNUXTCNAJAPZAX-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.97
Rot. Bonds6

About 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid

2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid (PubChem CID 62992897) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid
PubChem CID62992897
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid
SMILESCc1nc(=O)n(CCCN2CCCC2)c(C)c1CC(=O)O
InChIInChI=1S/C15H23N3O3/c1-11-13(10-14(19)20)12(2)18(15(21)16-11)9-5-8-17-6-3-4-7-17/h3-10H2,1-2H3,(H,19,20)
InChIKeyHNUXTCNAJAPZAX-UHFFFAOYSA-N
XLogP0.97
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid (CID 62992897) is 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid is Cc1nc(=O)n(CCCN2CCCC2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid?
The InChIKey is HNUXTCNAJAPZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-13(10-14(19)20)12(2)18(15(21)16-11)9-5-8-17-6-3-4-7-17/h3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid?
2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 62992897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).