5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione

C8H11N3O2 — CID 54047168

IUPAC5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione
SMILESCC(=Cc1c[nH]c(=O)[nH]c1=O)CN
InChIInChI=1S/C8H11N3O2/c1-5(3-9)2-6-4-10-8(13)11-7(6)12/h2,4H,3,9H2,1H3,(H2,10,11,12,13)
InChIKeyLQJNPJQCWSCGIP-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.57
Rot. Bonds2

About 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione

5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione (PubChem CID 54047168) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione
PubChem CID54047168
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione
SMILESCC(=Cc1c[nH]c(=O)[nH]c1=O)CN
InChIInChI=1S/C8H11N3O2/c1-5(3-9)2-6-4-10-8(13)11-7(6)12/h2,4H,3,9H2,1H3,(H2,10,11,12,13)
InChIKeyLQJNPJQCWSCGIP-UHFFFAOYSA-N
XLogP-0.57
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione (CID 54047168) is 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione is CC(=Cc1c[nH]c(=O)[nH]c1=O)CN.
What is the InChIKey of 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione?
The InChIKey is LQJNPJQCWSCGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(3-9)2-6-4-10-8(13)11-7(6)12/h2,4H,3,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione?
5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione has a molecular weight of 181.19 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-methylprop-1-enyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54047168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).