4,5-bis(ethylamino)-1H-pyrimidin-6-one

C8H14N4O — CID 135814991

IUPAC4,5-bis(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1nc[nH]c(=O)c1NCC
InChIInChI=1S/C8H14N4O/c1-3-9-6-7(10-4-2)11-5-12-8(6)13/h5,9H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyFRIZIMKWIOAGEX-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.63
Rot. Bonds4

About 4,5-bis(ethylamino)-1H-pyrimidin-6-one

4,5-bis(ethylamino)-1H-pyrimidin-6-one (PubChem CID 135814991) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4,5-bis(ethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-bis(ethylamino)-1H-pyrimidin-6-one
PubChem CID135814991
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4,5-bis(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1nc[nH]c(=O)c1NCC
InChIInChI=1S/C8H14N4O/c1-3-9-6-7(10-4-2)11-5-12-8(6)13/h5,9H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyFRIZIMKWIOAGEX-UHFFFAOYSA-N
XLogP0.63
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-bis(ethylamino)-1H-pyrimidin-6-one (CID 135814991) is 4,5-bis(ethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-bis(ethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-bis(ethylamino)-1H-pyrimidin-6-one is CCNc1nc[nH]c(=O)c1NCC.
What is the InChIKey of 4,5-bis(ethylamino)-1H-pyrimidin-6-one?
The InChIKey is FRIZIMKWIOAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-9-6-7(10-4-2)11-5-12-8(6)13/h5,9H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4,5-bis(ethylamino)-1H-pyrimidin-6-one?
4,5-bis(ethylamino)-1H-pyrimidin-6-one has a molecular weight of 182.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135814991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).