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

C8H14N4O2 — CID 10584108

IUPAC5,6-diamino-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h2-4,9-10H2,1H3,(H,11,13,14)
InChIKeyOBWROQGNIMBKKV-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.50
Rot. Bonds3

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

5,6-diamino-1-butylpyrimidine-2,4-dione (PubChem CID 10584108) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5,6-diamino-1-butylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-butylpyrimidine-2,4-dione
PubChem CID10584108
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5,6-diamino-1-butylpyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h2-4,9-10H2,1H3,(H,11,13,14)
InChIKeyOBWROQGNIMBKKV-UHFFFAOYSA-N
XLogP-0.50
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-butylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-butylpyrimidine-2,4-dione (CID 10584108) is 5,6-diamino-1-butylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-butylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-butylpyrimidine-2,4-dione is CCCCn1c(N)c(N)c(=O)[nH]c1=O.
What is the InChIKey of 5,6-diamino-1-butylpyrimidine-2,4-dione?
The InChIKey is OBWROQGNIMBKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-2-3-4-12-6(10)5(9)7(13)11-8(12)14/h2-4,9-10H2,1H3,(H,11,13,14).
What are the key properties of 5,6-diamino-1-butylpyrimidine-2,4-dione?
5,6-diamino-1-butylpyrimidine-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-butylpyrimidine-2,4-dione is sourced from PubChem (CID 10584108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).