6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione

C8H14N4O2 — CID 47003040

IUPAC6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione
SMILESCCNc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-3-10-5-6(9)12(4-2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14)
InChIKeyYHHAZWRUFLWOJE-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.43
Rot. Bonds3

About 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione (PubChem CID 47003040) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione
PubChem CID47003040
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione
SMILESCCNc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-3-10-5-6(9)12(4-2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14)
InChIKeyYHHAZWRUFLWOJE-UHFFFAOYSA-N
XLogP-0.43
TPSA92.91 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 ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione (CID 47003040) is 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione is CCNc1c(N)n(CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione?
The InChIKey is YHHAZWRUFLWOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-10-5-6(9)12(4-2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14).
What are the key properties of 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(ethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 47003040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).