5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione

C9H16N4O2 — CID 2114038

IUPAC5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O2/c1-3-4-5-13-7(11)6(10)8(14)12(2)9(13)15/h3-5,10-11H2,1-2H3
InChIKeyOWZSVHVLJNZPOK-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.49
Rot. Bonds3

About 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione

5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione (PubChem CID 2114038) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione
PubChem CID2114038
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C9H16N4O2/c1-3-4-5-13-7(11)6(10)8(14)12(2)9(13)15/h3-5,10-11H2,1-2H3
InChIKeyOWZSVHVLJNZPOK-UHFFFAOYSA-N
XLogP-0.49
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione (CID 2114038) is 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione is CCCCn1c(N)c(N)c(=O)n(C)c1=O.
What is the InChIKey of 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione?
The InChIKey is OWZSVHVLJNZPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-4-5-13-7(11)6(10)8(14)12(2)9(13)15/h3-5,10-11H2,1-2H3.
What are the key properties of 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione?
5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 2114038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).