N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide

C8H12N4O — CID 12680284

IUPACN,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide
SMILESCN(C)/C=N/c1ccn(C)c(=O)n1
InChIInChI=1S/C8H12N4O/c1-11(2)6-9-7-4-5-12(3)8(13)10-7/h4-6H,1-3H3/b9-6+
InChIKeyTZYAZGZUAYJSNV-RMKNXTFCSA-N
MW180.21 g/mol
LogP0.00
Rot. Bonds2

About N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide

N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide (PubChem CID 12680284) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide
PubChem CID12680284
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide
SMILESCN(C)/C=N/c1ccn(C)c(=O)n1
InChIInChI=1S/C8H12N4O/c1-11(2)6-9-7-4-5-12(3)8(13)10-7/h4-6H,1-3H3/b9-6+
InChIKeyTZYAZGZUAYJSNV-RMKNXTFCSA-N
XLogP0.00
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide (CID 12680284) is N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide is CN(C)/C=N/c1ccn(C)c(=O)n1.
What is the InChIKey of N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide?
The InChIKey is TZYAZGZUAYJSNV-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H12N4O/c1-11(2)6-9-7-4-5-12(3)8(13)10-7/h4-6H,1-3H3/b9-6+.
What are the key properties of N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide?
N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide has a molecular weight of 180.21 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1-methyl-2-oxopyrimidin-4-yl)methanimidamide is sourced from PubChem (CID 12680284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).