(5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione

C12H18N4O2 — CID 66489819

IUPAC(5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
SMILESCN(C)/C=C1\C(=O)N=C(N2CCCCC2)NC1=O
InChIInChI=1S/C12H18N4O2/c1-15(2)8-9-10(17)13-12(14-11(9)18)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3,(H,13,14,17,18)
InChIKeyZYSFIESDMHDXEN-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.07
Rot. Bonds1

About (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione

(5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione (PubChem CID 66489819) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name(5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
PubChem CID66489819
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
SMILESCN(C)/C=C1\C(=O)N=C(N2CCCCC2)NC1=O
InChIInChI=1S/C12H18N4O2/c1-15(2)8-9-10(17)13-12(14-11(9)18)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3,(H,13,14,17,18)
InChIKeyZYSFIESDMHDXEN-UHFFFAOYSA-N
XLogP-0.07
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

6-Oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidine-5-carbonitrile
CID 1948311
4-Amino-1-methyl-6-oxo-2-piperidin-1-ylpyrimidine-5-carbaldehyde
CID 54613760
5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 15175751
2-(dimethylamino)-N,N-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 71220656
2-(dimethylamino)-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 71220687
2-[ethyl(methyl)amino]-6-oxo-1H-pyrimidine-5-carboxamide
CID 129933164
5-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 131881386
N,N-dimethyl-1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxamide
CID 165103559
(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one
CID 66489659
2-amino-5-(diethylaminomethyl)-1H-pyrimidin-6-one
CID 73893757
5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 82507601
2-(methylamino)-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82509558

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione (CID 66489819) is (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione is CN(C)/C=C1\C(=O)N=C(N2CCCCC2)NC1=O.
What is the InChIKey of (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The InChIKey is ZYSFIESDMHDXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(2)8-9-10(17)13-12(14-11(9)18)16-6-4-3-5-7-16/h8H,3-7H2,1-2H3,(H,13,14,17,18).
What are the key properties of (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
(5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione has a molecular weight of 250.30 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(dimethylaminomethylidene)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 66489819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).