N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide

C8H12N4O2 — CID 135160119

IUPACN'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide
SMILESCc1c(/N=C/N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H12N4O2/c1-5-6(10-4-9)7(13)12(3)8(14)11(5)2/h4H,1-3H3,(H2,9,10)
InChIKeyLNDFOJURYQPBOL-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.99
Rot. Bonds1

About N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide

N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide (PubChem CID 135160119) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide.

Molecular Properties

Compound NameN'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide
PubChem CID135160119
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide
SMILESCc1c(/N=C/N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H12N4O2/c1-5-6(10-4-9)7(13)12(3)8(14)11(5)2/h4H,1-3H3,(H2,9,10)
InChIKeyLNDFOJURYQPBOL-UHFFFAOYSA-N
XLogP-0.99
TPSA82.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide?
The IUPAC name of N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide (CID 135160119) is N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide.
What is the SMILES notation for N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide?
The canonical SMILES for N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide is Cc1c(/N=C/N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide?
The InChIKey is LNDFOJURYQPBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-6(10-4-9)7(13)12(3)8(14)11(5)2/h4H,1-3H3,(H2,9,10).
What are the key properties of N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide?
N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide has a molecular weight of 196.21 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methanimidamide is sourced from PubChem (CID 135160119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).