6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione

C11H20N4O3 — CID 2490480

IUPAC6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCCNc1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-7(2)6-15-9(12)8(13-4-5-18-3)10(16)14-11(15)17/h7,13H,4-6,12H2,1-3H3,(H,14,16,17)
InChIKeyYKINSBNYLJIUBX-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.17
Rot. Bonds6

About 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 2490480) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID2490480
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCCNc1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O3/c1-7(2)6-15-9(12)8(13-4-5-18-3)10(16)14-11(15)17/h7,13H,4-6,12H2,1-3H3,(H,14,16,17)
InChIKeyYKINSBNYLJIUBX-UHFFFAOYSA-N
XLogP-0.17
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 2490480) is 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is COCCNc1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is YKINSBNYLJIUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-7(2)6-15-9(12)8(13-4-5-18-3)10(16)14-11(15)17/h7,13H,4-6,12H2,1-3H3,(H,14,16,17).
What are the key properties of 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 256.31 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2490480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).