6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione

C9H16N4O3 — CID 102699143

IUPAC6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
SMILESCOC(C)CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O3/c1-5(16-3)4-11-6-7(10)13(2)9(15)12-8(6)14/h5,11H,4,10H2,1-3H3,(H,12,14,15)
InChIKeyMZDJMGAHLDAYGR-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.90
Rot. Bonds4

About 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione

6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione (PubChem CID 102699143) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
PubChem CID102699143
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
SMILESCOC(C)CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O3/c1-5(16-3)4-11-6-7(10)13(2)9(15)12-8(6)14/h5,11H,4,10H2,1-3H3,(H,12,14,15)
InChIKeyMZDJMGAHLDAYGR-UHFFFAOYSA-N
XLogP-0.90
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione (CID 102699143) is 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione is COC(C)CNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione?
The InChIKey is MZDJMGAHLDAYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-5(16-3)4-11-6-7(10)13(2)9(15)12-8(6)14/h5,11H,4,10H2,1-3H3,(H,12,14,15).
What are the key properties of 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione?
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione has a molecular weight of 228.25 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 102699143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).