4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one

C10H18N4O — CID 136955922

IUPAC4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-3-14(4-2)6-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyWNQBXLKPMDBYTC-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.52
Rot. Bonds6

About 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one

4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136955922) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one
PubChem CID136955922
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CC)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H18N4O/c1-3-14(4-2)6-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15)
InChIKeyWNQBXLKPMDBYTC-UHFFFAOYSA-N
XLogP0.52
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one (CID 136955922) is 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one is CCN(CC)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is WNQBXLKPMDBYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-14(4-2)6-5-11-9-7-10(15)13-8-12-9/h7-8H,3-6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one?
4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136955922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).