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

C17H32N4O2 — CID 11723787

IUPAC5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C17H32N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-15(19)14(18)16(22)20(2)17(21)23/h3-13,18-19H2,1-2H3
InChIKeyAFXWPTRKZRFVEO-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.63
Rot. Bonds11

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

5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione (PubChem CID 11723787) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione
PubChem CID11723787
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C17H32N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-15(19)14(18)16(22)20(2)17(21)23/h3-13,18-19H2,1-2H3
InChIKeyAFXWPTRKZRFVEO-UHFFFAOYSA-N
XLogP2.63
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.63
H-Bond Donors ≤ 52
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 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione (CID 11723787) is 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione is CCCCCCCCCCCCn1c(N)c(N)c(=O)n(C)c1=O.
What is the InChIKey of 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione?
The InChIKey is AFXWPTRKZRFVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-15(19)14(18)16(22)20(2)17(21)23/h3-13,18-19H2,1-2H3.
What are the key properties of 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione?
5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione has a molecular weight of 324.47 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-dodecyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11723787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).