(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one

C12H19N5O — CID 66489659

IUPAC(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one
SMILESCN(C)/C=C1/C(=O)N=C(N2CCCCC2)N=C1N
InChIInChI=1S/C12H19N5O/c1-16(2)8-9-10(13)14-12(15-11(9)18)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3,(H2,13,14,15,18)/b9-8+
InChIKeyOVOBBGQKUXAPEU-CMDGGOBGSA-N
MW249.32 g/mol
LogP0.17
Rot. Bonds1

About (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one

(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one (PubChem CID 66489659) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one
PubChem CID66489659
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one
SMILESCN(C)/C=C1/C(=O)N=C(N2CCCCC2)N=C1N
InChIInChI=1S/C12H19N5O/c1-16(2)8-9-10(13)14-12(15-11(9)18)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3,(H2,13,14,15,18)/b9-8+
InChIKeyOVOBBGQKUXAPEU-CMDGGOBGSA-N
XLogP0.17
TPSA74.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135222505
(5E)-6-amino-5-(ethoxymethylidene)-2-(piperidin-1-yl)pyrimidin-4(5H)-one
CID 7340043
2-Amino-8-ethylpyrimido[4,5-d]pyrimidin-4-one
CID 9990111
(5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one
CID 66489657
(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one
CID 66489661
(5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
CID 66489819
5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 82507601
5-(Aminomethyl)-1-(1-methylpiperidin-2-yl)pyrimidin-4-one
CID 115114305
4-methyl-N'-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]piperidine-1-carboximidamide
CID 121823163
3-methyl-N'-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]piperidine-1-carboximidamide
CID 121829091

Frequently Asked Questions

What is the IUPAC name of (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one (CID 66489659) is (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one is CN(C)/C=C1/C(=O)N=C(N2CCCCC2)N=C1N.
What is the InChIKey of (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one?
The InChIKey is OVOBBGQKUXAPEU-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16(2)8-9-10(13)14-12(15-11(9)18)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3,(H2,13,14,15,18)/b9-8+.
What are the key properties of (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one?
(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one has a molecular weight of 249.32 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 66489659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).