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

C9H13N3O — CID 21488405

IUPAC2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1cnc(N(C)C)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-4-5-7-6-10-9(12(2)3)11-8(7)13/h4,6H,1,5H2,2-3H3,(H,10,11,13)
InChIKeyVOYJYXVIJLKOSN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.56
Rot. Bonds3

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

2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 21488405) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID21488405
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1cnc(N(C)C)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-4-5-7-6-10-9(12(2)3)11-8(7)13/h4,6H,1,5H2,2-3H3,(H,10,11,13)
InChIKeyVOYJYXVIJLKOSN-UHFFFAOYSA-N
XLogP0.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.56
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

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
6-fluoro-7-methyl-3-propan-2-yl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 122543751
2-Amino-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
CID 295803
4(1H)-Pyrimidinone, 2-amino-5-propyl-
CID 147275
4(1H)-Pyrimidinone, 2-amino-5-butyl-
CID 147276
2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 21488452
2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one
CID 54040575
2-(diethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 58091021
2-amino-5-propan-2-yl-1H-pyrimidin-6-one
CID 58507711

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one (CID 21488405) is 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1cnc(N(C)C)[nH]c1=O.
What is the InChIKey of 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is VOYJYXVIJLKOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-4-5-7-6-10-9(12(2)3)11-8(7)13/h4,6H,1,5H2,2-3H3,(H,10,11,13).
What are the key properties of 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one?
2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 21488405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).