N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

C12H20N4O2 — CID 66630122

IUPACN'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCCn1c(=O)cc(N=CN(C)C)n(CC)c1=O
InChIInChI=1S/C12H20N4O2/c1-5-7-16-11(17)8-10(13-9-14(3)4)15(6-2)12(16)18/h8-9H,5-7H2,1-4H3
InChIKeySPJDDRUDFQBAOY-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.66
Rot. Bonds5

About N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 66630122) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID66630122
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCCn1c(=O)cc(N=CN(C)C)n(CC)c1=O
InChIInChI=1S/C12H20N4O2/c1-5-7-16-11(17)8-10(13-9-14(3)4)15(6-2)12(16)18/h8-9H,5-7H2,1-4H3
InChIKeySPJDDRUDFQBAOY-UHFFFAOYSA-N
XLogP0.66
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.66
H-Bond Donors ≤ 50
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'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 66630122) is N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is CCCn1c(=O)cc(N=CN(C)C)n(CC)c1=O.
What is the InChIKey of N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is SPJDDRUDFQBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-7-16-11(17)8-10(13-9-14(3)4)15(6-2)12(16)18/h8-9H,5-7H2,1-4H3.
What are the key properties of N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 252.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-2,6-dioxo-1-propylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 66630122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).