5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione

C7H12N4O3 — CID 67341075

IUPAC5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC(O)Nc1[nH]c(=O)n(C)c(=O)c1N
InChIInChI=1S/C7H12N4O3/c1-3(12)9-5-4(8)6(13)11(2)7(14)10-5/h3,9,12H,8H2,1-2H3,(H,10,14)
InChIKeySBGQYVPOKAIOGB-UHFFFAOYSA-N
MW200.20 g/mol
LogP-1.59
Rot. Bonds2

About 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione

5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 67341075) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID67341075
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC(O)Nc1[nH]c(=O)n(C)c(=O)c1N
InChIInChI=1S/C7H12N4O3/c1-3(12)9-5-4(8)6(13)11(2)7(14)10-5/h3,9,12H,8H2,1-2H3,(H,10,14)
InChIKeySBGQYVPOKAIOGB-UHFFFAOYSA-N
XLogP-1.59
TPSA113.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione (CID 67341075) is 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione is CC(O)Nc1[nH]c(=O)n(C)c(=O)c1N.
What is the InChIKey of 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SBGQYVPOKAIOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-3(12)9-5-4(8)6(13)11(2)7(14)10-5/h3,9,12H,8H2,1-2H3,(H,10,14).
What are the key properties of 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione?
5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 200.20 g/mol, XLogP of -1.59, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-hydroxyethylamino)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67341075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).