N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide

C8H12N4O2 — CID 12004656

IUPACN,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide
SMILESCN(C)C=Nc1cc(=O)[nH]c(=O)n1C
InChIInChI=1S/C8H12N4O2/c1-11(2)5-9-6-4-7(13)10-8(14)12(6)3/h4-5H,1-3H3,(H,10,13,14)
InChIKeyLKFHXQQCMWXMLN-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.70
Rot. Bonds2

About N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide

N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide (PubChem CID 12004656) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide
PubChem CID12004656
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide
SMILESCN(C)C=Nc1cc(=O)[nH]c(=O)n1C
InChIInChI=1S/C8H12N4O2/c1-11(2)5-9-6-4-7(13)10-8(14)12(6)3/h4-5H,1-3H3,(H,10,13,14)
InChIKeyLKFHXQQCMWXMLN-UHFFFAOYSA-N
XLogP-0.70
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
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'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide (CID 12004656) is N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide is CN(C)C=Nc1cc(=O)[nH]c(=O)n1C.
What is the InChIKey of N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide?
The InChIKey is LKFHXQQCMWXMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-11(2)5-9-6-4-7(13)10-8(14)12(6)3/h4-5H,1-3H3,(H,10,13,14).
What are the key properties of N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide?
N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide has a molecular weight of 196.21 g/mol, XLogP of -0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(3-methyl-2,6-dioxopyrimidin-4-yl)methanimidamide is sourced from PubChem (CID 12004656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).