6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione

C8H13N3O2 — CID 652709

IUPAC6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H13N3O2/c1-4-9-6-5-7(12)11(3)8(13)10(6)2/h5,9H,4H2,1-3H3
InChIKeyLKDYUNLCDHHAQX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.48
Rot. Bonds2

About 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione

6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 652709) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID652709
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H13N3O2/c1-4-9-6-5-7(12)11(3)8(13)10(6)2/h5,9H,4H2,1-3H3
InChIKeyLKDYUNLCDHHAQX-UHFFFAOYSA-N
XLogP-0.48
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione (CID 652709) is 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione is CCNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LKDYUNLCDHHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-9-6-5-7(12)11(3)8(13)10(6)2/h5,9H,4H2,1-3H3.
What are the key properties of 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione?
6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 652709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).