4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid

C15H24N4O5 — CID 2400440

IUPAC4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid
SMILESCCCCN(C(=O)CCC(=O)O)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O5/c1-3-5-9-18(10(20)6-7-11(21)22)12-13(16)19(8-4-2)15(24)17-14(12)23/h3-9,16H2,1-2H3,(H,21,22)(H,17,23,24)
InChIKeyISTNBZBQHQUYLS-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.53
Rot. Bonds9

About 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid

4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid (PubChem CID 2400440) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid
PubChem CID2400440
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Name4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid
SMILESCCCCN(C(=O)CCC(=O)O)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N4O5/c1-3-5-9-18(10(20)6-7-11(21)22)12-13(16)19(8-4-2)15(24)17-14(12)23/h3-9,16H2,1-2H3,(H,21,22)(H,17,23,24)
InChIKeyISTNBZBQHQUYLS-UHFFFAOYSA-N
XLogP0.53
TPSA138.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid (CID 2400440) is 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid is CCCCN(C(=O)CCC(=O)O)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid?
The InChIKey is ISTNBZBQHQUYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-3-5-9-18(10(20)6-7-11(21)22)12-13(16)19(8-4-2)15(24)17-14(12)23/h3-9,16H2,1-2H3,(H,21,22)(H,17,23,24).
What are the key properties of 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid?
4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid has a molecular weight of 340.38 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-4-oxobutanoic acid is sourced from PubChem (CID 2400440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).