2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid

C12H15N5O4 — CID 21357426

IUPAC2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)NC(CCCNc2ncccn2)C1=O
InChIInChI=1S/C12H15N5O4/c18-9(19)7-17-10(20)8(16-12(17)21)3-1-4-13-11-14-5-2-6-15-11/h2,5-6,8H,1,3-4,7H2,(H,16,21)(H,18,19)(H,13,14,15)
InChIKeyQGMNKLJPOFQWKW-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.33
Rot. Bonds7

About 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid

2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid (PubChem CID 21357426) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid
PubChem CID21357426
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)NC(CCCNc2ncccn2)C1=O
InChIInChI=1S/C12H15N5O4/c18-9(19)7-17-10(20)8(16-12(17)21)3-1-4-13-11-14-5-2-6-15-11/h2,5-6,8H,1,3-4,7H2,(H,16,21)(H,18,19)(H,13,14,15)
InChIKeyQGMNKLJPOFQWKW-UHFFFAOYSA-N
XLogP-0.33
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid (CID 21357426) is 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid is O=C(O)CN1C(=O)NC(CCCNc2ncccn2)C1=O.
What is the InChIKey of 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid?
The InChIKey is QGMNKLJPOFQWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c18-9(19)7-17-10(20)8(16-12(17)21)3-1-4-13-11-14-5-2-6-15-11/h2,5-6,8H,1,3-4,7H2,(H,16,21)(H,18,19)(H,13,14,15).
What are the key properties of 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid?
2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid has a molecular weight of 293.28 g/mol, XLogP of -0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid is sourced from PubChem (CID 21357426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).