N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide

C7H10N4O — CID 5388659

IUPACN,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide
SMILESCN(C)/C=N/c1ccnc(=O)[nH]1
InChIInChI=1S/C7H10N4O/c1-11(2)5-9-6-3-4-8-7(12)10-6/h3-5H,1-2H3,(H,8,10,12)/b9-5+
InChIKeyDPFZJQSWJBETOB-WEVVVXLNSA-N
MW166.18 g/mol
LogP-0.01
Rot. Bonds2

About N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide

N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide (PubChem CID 5388659) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide
PubChem CID5388659
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC NameN,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide
SMILESCN(C)/C=N/c1ccnc(=O)[nH]1
InChIInChI=1S/C7H10N4O/c1-11(2)5-9-6-3-4-8-7(12)10-6/h3-5H,1-2H3,(H,8,10,12)/b9-5+
InChIKeyDPFZJQSWJBETOB-WEVVVXLNSA-N
XLogP-0.01
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide (CID 5388659) is N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide is CN(C)/C=N/c1ccnc(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide?
The InChIKey is DPFZJQSWJBETOB-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11(2)5-9-6-3-4-8-7(12)10-6/h3-5H,1-2H3,(H,8,10,12)/b9-5+.
What are the key properties of N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide?
N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide has a molecular weight of 166.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-oxo-1H-pyrimidin-6-yl)methanimidamide is sourced from PubChem (CID 5388659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).