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

C8H8FN5O2 — CID 44632008

IUPAC6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
SMILESNc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C8H8FN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)
InChIKeySFEMKOUUPCFITA-UHFFFAOYSA-N
MW225.18 g/mol
LogP-0.97
Rot. Bonds2

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

6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 44632008) has the molecular formula C8H8FN5O2 and a molecular weight of 225.18 g/mol. Its IUPAC name is 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID44632008
Molecular FormulaC8H8FN5O2
Molecular Weight225.18 g/mol
Exact Mass225.07
IUPAC Name6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
SMILESNc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C8H8FN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16)
InChIKeySFEMKOUUPCFITA-UHFFFAOYSA-N
XLogP-0.97
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione (CID 44632008) is 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione is Nc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1F.
What is the InChIKey of 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is SFEMKOUUPCFITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5O2/c9-5-4(12-8(16)13-6(5)15)3-14-2-1-11-7(14)10/h1-2H,3H2,(H2,10,11)(H2,12,13,15,16).
What are the key properties of 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione?
6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 225.18 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminoimidazol-1-yl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 44632008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).