5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione

C8H14N4O2 — CID 14257879

IUPAC5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2/c1-3-4-12-6(10)5(9)7(13)11(2)8(12)14/h3-4,9-10H2,1-2H3
InChIKeyGZLCSRRZWGTVNK-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.88
Rot. Bonds2

About 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione

5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 14257879) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID14257879
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2/c1-3-4-12-6(10)5(9)7(13)11(2)8(12)14/h3-4,9-10H2,1-2H3
InChIKeyGZLCSRRZWGTVNK-UHFFFAOYSA-N
XLogP-0.88
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione (CID 14257879) is 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(N)c(=O)n(C)c1=O.
What is the InChIKey of 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is GZLCSRRZWGTVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-4-12-6(10)5(9)7(13)11(2)8(12)14/h3-4,9-10H2,1-2H3.
What are the key properties of 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione?
5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 14257879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).