2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid

C14H21N3O4 — CID 62095010

IUPAC2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid
SMILESCCCNC(=O)Cn1c(C)c(C(C)C(=O)O)c(C)nc1=O
InChIInChI=1S/C14H21N3O4/c1-5-6-15-11(18)7-17-10(4)12(8(2)13(19)20)9(3)16-14(17)21/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyYWOSFUBZZSZMCB-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.57
Rot. Bonds6

About 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid

2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid (PubChem CID 62095010) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid
PubChem CID62095010
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid
SMILESCCCNC(=O)Cn1c(C)c(C(C)C(=O)O)c(C)nc1=O
InChIInChI=1S/C14H21N3O4/c1-5-6-15-11(18)7-17-10(4)12(8(2)13(19)20)9(3)16-14(17)21/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyYWOSFUBZZSZMCB-UHFFFAOYSA-N
XLogP0.57
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid (CID 62095010) is 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid is CCCNC(=O)Cn1c(C)c(C(C)C(=O)O)c(C)nc1=O.
What is the InChIKey of 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid?
The InChIKey is YWOSFUBZZSZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-5-6-15-11(18)7-17-10(4)12(8(2)13(19)20)9(3)16-14(17)21/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid?
2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-oxo-1-[2-oxo-2-(propylamino)ethyl]pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 62095010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).