5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane

C9H18N4O2 — CID 155804930

IUPAC5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane
SMILESC.CCn1c(N)c(N)c(=O)n(CC)c1=O
InChIInChI=1S/C8H14N4O2.CH4/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14;/h3-4,9-10H2,1-2H3;1H4
InChIKeyDLYCHDWPBUVORA-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.15
Rot. Bonds2

About 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane

5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane (PubChem CID 155804930) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane.

Molecular Properties

Compound Name5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane
PubChem CID155804930
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane
SMILESC.CCn1c(N)c(N)c(=O)n(CC)c1=O
InChIInChI=1S/C8H14N4O2.CH4/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14;/h3-4,9-10H2,1-2H3;1H4
InChIKeyDLYCHDWPBUVORA-UHFFFAOYSA-N
XLogP-0.15
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane?
The IUPAC name of 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane (CID 155804930) is 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane.
What is the SMILES notation for 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane?
The canonical SMILES for 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane is C.CCn1c(N)c(N)c(=O)n(CC)c1=O.
What is the InChIKey of 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane?
The InChIKey is DLYCHDWPBUVORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2.CH4/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14;/h3-4,9-10H2,1-2H3;1H4.
What are the key properties of 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane?
5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane has a molecular weight of 214.27 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane is sourced from PubChem (CID 155804930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).