(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one

C12H20N6O — CID 66489661

IUPAC(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one
SMILESCN(C)/C=C1/C(=O)N=C(N2CCN(C)CC2)N=C1N
InChIInChI=1S/C12H20N6O/c1-16(2)8-9-10(13)14-12(15-11(9)19)18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3,(H2,13,14,15,19)/b9-8+
InChIKeyAFFMCDJPLCVODO-CMDGGOBGSA-N
MW264.33 g/mol
LogP-1.07
Rot. Bonds1

About (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one

(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one (PubChem CID 66489661) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one.

Molecular Properties

Compound Name(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one
PubChem CID66489661
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one
SMILESCN(C)/C=C1/C(=O)N=C(N2CCN(C)CC2)N=C1N
InChIInChI=1S/C12H20N6O/c1-16(2)8-9-10(13)14-12(15-11(9)19)18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3,(H2,13,14,15,19)/b9-8+
InChIKeyAFFMCDJPLCVODO-CMDGGOBGSA-N
XLogP-1.07
TPSA77.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-piperidin-1-ylpyrimidin-4-one
CID 66489659
(5E)-6-amino-5-(dimethylaminomethylidene)-2-morpholin-4-ylpyrimidin-4-one
CID 66489660
2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82509438
5-(aminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 83852442
5-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 114206209
5-(Aminomethyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
CID 115114545

Frequently Asked Questions

What is the IUPAC name of (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one?
The IUPAC name of (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one (CID 66489661) is (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one.
What is the SMILES notation for (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one?
The canonical SMILES for (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one is CN(C)/C=C1/C(=O)N=C(N2CCN(C)CC2)N=C1N.
What is the InChIKey of (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one?
The InChIKey is AFFMCDJPLCVODO-CMDGGOBGSA-N. The full InChI is InChI=1S/C12H20N6O/c1-16(2)8-9-10(13)14-12(15-11(9)19)18-6-4-17(3)5-7-18/h8H,4-7H2,1-3H3,(H2,13,14,15,19)/b9-8+.
What are the key properties of (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one?
(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of -1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one is sourced from PubChem (CID 66489661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).