N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide

C12H20N4O2 — CID 21114547

IUPACN'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide
SMILESCCOC(OCC)c1ncc(/N=C/N(C)C)cn1
InChIInChI=1S/C12H20N4O2/c1-5-17-12(18-6-2)11-13-7-10(8-14-11)15-9-16(3)4/h7-9,12H,5-6H2,1-4H3/b15-9+
InChIKeyGGEZXHFXJLERTQ-OQLLNIDSSA-N
MW252.32 g/mol
LogP1.77
Rot. Bonds7

About N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide

N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 21114547) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide
PubChem CID21114547
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide
SMILESCCOC(OCC)c1ncc(/N=C/N(C)C)cn1
InChIInChI=1S/C12H20N4O2/c1-5-17-12(18-6-2)11-13-7-10(8-14-11)15-9-16(3)4/h7-9,12H,5-6H2,1-4H3/b15-9+
InChIKeyGGEZXHFXJLERTQ-OQLLNIDSSA-N
XLogP1.77
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide (CID 21114547) is N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide is CCOC(OCC)c1ncc(/N=C/N(C)C)cn1.
What is the InChIKey of N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is GGEZXHFXJLERTQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-17-12(18-6-2)11-13-7-10(8-14-11)15-9-16(3)4/h7-9,12H,5-6H2,1-4H3/b15-9+.
What are the key properties of N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 252.32 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethoxymethyl)pyrimidin-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 21114547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).