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

C7H10N4O5 — CID 51058647

IUPAC6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(NCCO)c([N+](=O)[O-])c1=O
InChIInChI=1S/C7H10N4O5/c1-10-6(13)4(11(15)16)5(8-2-3-12)9-7(10)14/h8,12H,2-3H2,1H3,(H,9,14)
InChIKeyUZERYYSRYVDDKD-UHFFFAOYSA-N
MW230.18 g/mol
LogP-1.61
Rot. Bonds4

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

6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione (PubChem CID 51058647) has the molecular formula C7H10N4O5 and a molecular weight of 230.18 g/mol. Its IUPAC name is 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione
PubChem CID51058647
Molecular FormulaC7H10N4O5
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(NCCO)c([N+](=O)[O-])c1=O
InChIInChI=1S/C7H10N4O5/c1-10-6(13)4(11(15)16)5(8-2-3-12)9-7(10)14/h8,12H,2-3H2,1H3,(H,9,14)
InChIKeyUZERYYSRYVDDKD-UHFFFAOYSA-N
XLogP-1.61
TPSA130.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione (CID 51058647) is 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(NCCO)c([N+](=O)[O-])c1=O.
What is the InChIKey of 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione?
The InChIKey is UZERYYSRYVDDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O5/c1-10-6(13)4(11(15)16)5(8-2-3-12)9-7(10)14/h8,12H,2-3H2,1H3,(H,9,14).
What are the key properties of 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione?
6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione has a molecular weight of 230.18 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethylamino)-3-methyl-5-nitro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 51058647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).