5,6-diamino-1-dodecylpyrimidine-2,4-dione

C16H30N4O2 — CID 11722943

IUPAC5,6-diamino-1-dodecylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCn1c(N)c(N)c(=O)[nH]c1=O
InChIInChI=1S/C16H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-20-14(18)13(17)15(21)19-16(20)22/h2-12,17-18H2,1H3,(H,19,21,22)
InChIKeyZCJNPUCHLMEPTQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.62
Rot. Bonds11

About 5,6-diamino-1-dodecylpyrimidine-2,4-dione

5,6-diamino-1-dodecylpyrimidine-2,4-dione (PubChem CID 11722943) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5,6-diamino-1-dodecylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-dodecylpyrimidine-2,4-dione
PubChem CID11722943
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name5,6-diamino-1-dodecylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCn1c(N)c(N)c(=O)[nH]c1=O
InChIInChI=1S/C16H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-20-14(18)13(17)15(21)19-16(20)22/h2-12,17-18H2,1H3,(H,19,21,22)
InChIKeyZCJNPUCHLMEPTQ-UHFFFAOYSA-N
XLogP2.62
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-dodecylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-dodecylpyrimidine-2,4-dione (CID 11722943) is 5,6-diamino-1-dodecylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-dodecylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-dodecylpyrimidine-2,4-dione is CCCCCCCCCCCCn1c(N)c(N)c(=O)[nH]c1=O.
What is the InChIKey of 5,6-diamino-1-dodecylpyrimidine-2,4-dione?
The InChIKey is ZCJNPUCHLMEPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-20-14(18)13(17)15(21)19-16(20)22/h2-12,17-18H2,1H3,(H,19,21,22).
What are the key properties of 5,6-diamino-1-dodecylpyrimidine-2,4-dione?
5,6-diamino-1-dodecylpyrimidine-2,4-dione has a molecular weight of 310.44 g/mol, XLogP of 2.62, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-dodecylpyrimidine-2,4-dione is sourced from PubChem (CID 11722943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).