3,5-diamino-1-ethylpyrimidine-2,4-dione

C6H10N4O2 — CID 129249659

IUPAC3,5-diamino-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(N)c1=O
InChIInChI=1S/C6H10N4O2/c1-2-9-3-4(7)5(11)10(8)6(9)12/h3H,2,7-8H2,1H3
InChIKeyLFSIONSOLNPNKM-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.67
Rot. Bonds1

About 3,5-diamino-1-ethylpyrimidine-2,4-dione

3,5-diamino-1-ethylpyrimidine-2,4-dione (PubChem CID 129249659) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3,5-diamino-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3,5-diamino-1-ethylpyrimidine-2,4-dione
PubChem CID129249659
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3,5-diamino-1-ethylpyrimidine-2,4-dione
SMILESCCn1cc(N)c(=O)n(N)c1=O
InChIInChI=1S/C6H10N4O2/c1-2-9-3-4(7)5(11)10(8)6(9)12/h3H,2,7-8H2,1H3
InChIKeyLFSIONSOLNPNKM-UHFFFAOYSA-N
XLogP-1.67
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 3,5-diamino-1-ethylpyrimidine-2,4-dione (CID 129249659) is 3,5-diamino-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 3,5-diamino-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 3,5-diamino-1-ethylpyrimidine-2,4-dione is CCn1cc(N)c(=O)n(N)c1=O.
What is the InChIKey of 3,5-diamino-1-ethylpyrimidine-2,4-dione?
The InChIKey is LFSIONSOLNPNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-9-3-4(7)5(11)10(8)6(9)12/h3H,2,7-8H2,1H3.
What are the key properties of 3,5-diamino-1-ethylpyrimidine-2,4-dione?
3,5-diamino-1-ethylpyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 129249659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).