2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one

C11H17N3O — CID 21488446

IUPAC2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1cnc(N(CC)CC)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-4-7-9-8-12-11(13-10(9)15)14(5-2)6-3/h4,8H,1,5-7H2,2-3H3,(H,12,13,15)
InChIKeyVIMRYFMDQARPEJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.34
Rot. Bonds5

About 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one

2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 21488446) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID21488446
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1cnc(N(CC)CC)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-4-7-9-8-12-11(13-10(9)15)14(5-2)6-3/h4,8H,1,5-7H2,2-3H3,(H,12,13,15)
InChIKeyVIMRYFMDQARPEJ-UHFFFAOYSA-N
XLogP1.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Allyl-6-diethylamino-2-methyl-pyrimidin-4-ol
CID 135457119
2-(Diethylamino)-5-methylpyrimidin-4-ol
CID 602372
4(1H)-Pyrimidinone, 2-amino-5-ethyl-
CID 147274
2-Diethylamino-5-(2,2,2-trifluoro-ethyl)-pyrimidin-4-OL
CID 58845186
3-ethyl-6-fluoro-7-methyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 118005247
2-Amino-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
CID 295803
2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 21488452
2-(diethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 58091021
2-Amino-1,5-diethylpyrimidin-4-one
CID 91342294
3-ethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 118005412
3-methyl-7-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 122543749
5-ethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 123774149

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one (CID 21488446) is 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1cnc(N(CC)CC)[nH]c1=O.
What is the InChIKey of 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is VIMRYFMDQARPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-7-9-8-12-11(13-10(9)15)14(5-2)6-3/h4,8H,1,5-7H2,2-3H3,(H,12,13,15).
What are the key properties of 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one?
2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 21488446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).