N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

C10H14N4O3 — CID 3787102

IUPACN'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCn1c(N=CN(C)C)c(C=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O3/c1-4-14-8(11-6-13(2)3)7(5-15)9(16)12-10(14)17/h5-6H,4H2,1-3H3,(H,12,16,17)
InChIKeyLTINBIANJVSXLN-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.41
Rot. Bonds4

About N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 3787102) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID3787102
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCCn1c(N=CN(C)C)c(C=O)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O3/c1-4-14-8(11-6-13(2)3)7(5-15)9(16)12-10(14)17/h5-6H,4H2,1-3H3,(H,12,16,17)
InChIKeyLTINBIANJVSXLN-UHFFFAOYSA-N
XLogP-0.41
TPSA87.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 3787102) is N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is CCn1c(N=CN(C)C)c(C=O)c(=O)[nH]c1=O.
What is the InChIKey of N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is LTINBIANJVSXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-4-14-8(11-6-13(2)3)7(5-15)9(16)12-10(14)17/h5-6H,4H2,1-3H3,(H,12,16,17).
What are the key properties of N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 238.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-5-formyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 3787102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).