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

C11H17N5O — CID 66489657

IUPAC(5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCN(C)/C=C1/C(=O)N=C(N2CCCC2)N=C1N
InChIInChI=1S/C11H17N5O/c1-15(2)7-8-9(12)13-11(14-10(8)17)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H2,12,13,14,17)/b8-7+
InChIKeyQSCDUPBDUKXPLE-BQYQJAHWSA-N
MW235.29 g/mol
LogP-0.22
Rot. Bonds1

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

(5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one (PubChem CID 66489657) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name(5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one
PubChem CID66489657
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one
SMILESCN(C)/C=C1/C(=O)N=C(N2CCCC2)N=C1N
InChIInChI=1S/C11H17N5O/c1-15(2)7-8-9(12)13-11(14-10(8)17)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H2,12,13,14,17)/b8-7+
InChIKeyQSCDUPBDUKXPLE-BQYQJAHWSA-N
XLogP-0.22
TPSA74.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.22
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

2-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboxamide
CID 20438537
(2Z)-2-(1-methyl-4-pyrrolidin-1-ylpyrimidin-2-ylidene)propanamide
CID 132094854
2-Amino-8-ethylpyrimido[4,5-d]pyrimidin-4-one
CID 9990111
(5E)-6-amino-5-(dimethylaminomethylidene)-2-piperidin-1-ylpyrimidin-4-one
CID 66489659
(5E)-6-amino-5-(dimethylaminomethylidene)-2-(4-methylpiperazin-1-yl)pyrimidin-4-one
CID 66489661
5-(propylaminomethyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 114206271
5-(Aminomethyl)-1-(1-methylpyrrolidin-2-yl)pyrimidin-4-one
CID 115114293

Frequently Asked Questions

What is the IUPAC name of (5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one?
The IUPAC name of (5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one (CID 66489657) is (5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one.
What is the SMILES notation for (5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one?
The canonical SMILES for (5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one is CN(C)/C=C1/C(=O)N=C(N2CCCC2)N=C1N.
What is the InChIKey of (5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one?
The InChIKey is QSCDUPBDUKXPLE-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H17N5O/c1-15(2)7-8-9(12)13-11(14-10(8)17)16-5-3-4-6-16/h7H,3-6H2,1-2H3,(H2,12,13,14,17)/b8-7+.
What are the key properties of (5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one?
(5E)-6-amino-5-(dimethylaminomethylidene)-2-pyrrolidin-1-ylpyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of -0.22, 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-pyrrolidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 66489657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).