N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

C11H16N4O2 — CID 12004657

IUPACN'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cc(=O)[nH]c(=O)n1CC1CC1
InChIInChI=1S/C11H16N4O2/c1-14(2)7-12-9-5-10(16)13-11(17)15(9)6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,13,16,17)
InChIKeyQWWLMJVSKHNDGF-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.17
Rot. Bonds4

About N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide

N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 12004657) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID12004657
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cc(=O)[nH]c(=O)n1CC1CC1
InChIInChI=1S/C11H16N4O2/c1-14(2)7-12-9-5-10(16)13-11(17)15(9)6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,13,16,17)
InChIKeyQWWLMJVSKHNDGF-UHFFFAOYSA-N
XLogP0.17
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.17
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'}

Analyze N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide 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'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 12004657) is N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1cc(=O)[nH]c(=O)n1CC1CC1.
What is the InChIKey of N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is QWWLMJVSKHNDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14(2)7-12-9-5-10(16)13-11(17)15(9)6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,13,16,17).
What are the key properties of N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 236.27 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopropylmethyl)-2,6-dioxopyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12004657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).