1-ethyl-4-(ethylamino)pyrimidin-2-one

C8H13N3O — CID 89389902

IUPAC1-ethyl-4-(ethylamino)pyrimidin-2-one
SMILESCCNc1ccn(CC)c(=O)n1
InChIInChI=1S/C8H13N3O/c1-3-9-7-5-6-11(4-2)8(12)10-7/h5-6H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyNDPUDFDDGOLTSE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds3

About 1-ethyl-4-(ethylamino)pyrimidin-2-one

1-ethyl-4-(ethylamino)pyrimidin-2-one (PubChem CID 89389902) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-ethyl-4-(ethylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(ethylamino)pyrimidin-2-one
PubChem CID89389902
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-ethyl-4-(ethylamino)pyrimidin-2-one
SMILESCCNc1ccn(CC)c(=O)n1
InChIInChI=1S/C8H13N3O/c1-3-9-7-5-6-11(4-2)8(12)10-7/h5-6H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyNDPUDFDDGOLTSE-UHFFFAOYSA-N
XLogP0.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(ethylamino)pyrimidin-2-one?
The IUPAC name of 1-ethyl-4-(ethylamino)pyrimidin-2-one (CID 89389902) is 1-ethyl-4-(ethylamino)pyrimidin-2-one.
What is the SMILES notation for 1-ethyl-4-(ethylamino)pyrimidin-2-one?
The canonical SMILES for 1-ethyl-4-(ethylamino)pyrimidin-2-one is CCNc1ccn(CC)c(=O)n1.
What is the InChIKey of 1-ethyl-4-(ethylamino)pyrimidin-2-one?
The InChIKey is NDPUDFDDGOLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-9-7-5-6-11(4-2)8(12)10-7/h5-6H,3-4H2,1-2H3,(H,9,10,12).
What are the key properties of 1-ethyl-4-(ethylamino)pyrimidin-2-one?
1-ethyl-4-(ethylamino)pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(ethylamino)pyrimidin-2-one is sourced from PubChem (CID 89389902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).