N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide

C11H18N4O2 — CID 154720605

IUPACN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide
SMILESCn1c(/N=C(\N)C(C)(C)C)cc(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O2/c1-11(2,3)9(12)13-7-6-8(16)15(5)10(17)14(7)4/h6H,1-5H3,(H2,12,13)
InChIKeyMLZPDGRBLVTEHB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.12
Rot. Bonds1

About N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide

N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide (PubChem CID 154720605) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide
PubChem CID154720605
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide
SMILESCn1c(/N=C(\N)C(C)(C)C)cc(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O2/c1-11(2,3)9(12)13-7-6-8(16)15(5)10(17)14(7)4/h6H,1-5H3,(H2,12,13)
InChIKeyMLZPDGRBLVTEHB-UHFFFAOYSA-N
XLogP0.12
TPSA82.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.12
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-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide (CID 154720605) is N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide is Cn1c(/N=C(\N)C(C)(C)C)cc(=O)n(C)c1=O.
What is the InChIKey of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide?
The InChIKey is MLZPDGRBLVTEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)9(12)13-7-6-8(16)15(5)10(17)14(7)4/h6H,1-5H3,(H2,12,13).
What are the key properties of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide?
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide has a molecular weight of 238.29 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 154720605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).