N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide

C9H14N4O2 — CID 102250967

IUPACN,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide
SMILES[H]/N=C(/Cn1cc(C)c(=O)[nH]c1=O)N(C)C
InChIInChI=1S/C9H14N4O2/c1-6-4-13(5-7(10)12(2)3)9(15)11-8(6)14/h4,10H,5H2,1-3H3,(H,11,14,15)/b10-7-
InChIKeyNQYQXANOIAFZPG-YFHOEESVSA-N
MW210.24 g/mol
LogP-0.62
Rot. Bonds2

About N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide

N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide (PubChem CID 102250967) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide
PubChem CID102250967
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide
SMILES[H]/N=C(/Cn1cc(C)c(=O)[nH]c1=O)N(C)C
InChIInChI=1S/C9H14N4O2/c1-6-4-13(5-7(10)12(2)3)9(15)11-8(6)14/h4,10H,5H2,1-3H3,(H,11,14,15)/b10-7-
InChIKeyNQYQXANOIAFZPG-YFHOEESVSA-N
XLogP-0.62
TPSA81.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
tert-butyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate;ethane
CID 144939598
5-methyl-1-[2-(4-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734699
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
5-methyl-1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyrimidine-2,4-dione
CID 60734768
potassium trifluoro-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-1-en-2-yl]boranuide
CID 106746423
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015
ethyl 2-(5-carbamimidoyl-2,4-dioxopyrimidin-1-yl)acetate
CID 118972563
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane
CID 143450884

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide?
The IUPAC name of N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide (CID 102250967) is N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide is [H]/N=C(/Cn1cc(C)c(=O)[nH]c1=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide?
The InChIKey is NQYQXANOIAFZPG-YFHOEESVSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-4-13(5-7(10)12(2)3)9(15)11-8(6)14/h4,10H,5H2,1-3H3,(H,11,14,15)/b10-7-.
What are the key properties of N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide?
N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide has a molecular weight of 210.24 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanimidamide is sourced from PubChem (CID 102250967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).