6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione

C8H11N5O2 — CID 25170093

IUPAC6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESNC1=NCCN1Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N5O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5/h3H,1-2,4H2,(H2,9,10)(H2,11,12,14,15)
InChIKeyXHHBJOLGGCURNO-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.81
Rot. Bonds2

About 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione

6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 25170093) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID25170093
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESNC1=NCCN1Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N5O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5/h3H,1-2,4H2,(H2,9,10)(H2,11,12,14,15)
InChIKeyXHHBJOLGGCURNO-UHFFFAOYSA-N
XLogP-1.81
TPSA107.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione (CID 25170093) is 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione is NC1=NCCN1Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XHHBJOLGGCURNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-7-10-1-2-13(7)4-5-3-6(14)12-8(15)11-5/h3H,1-2,4H2,(H2,9,10)(H2,11,12,14,15).
What are the key properties of 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione?
6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 209.21 g/mol, XLogP of -1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 25170093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).