N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide

C10H16N4O3 — CID 136870165

IUPACN-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H16N4O3/c1-4-14(2)7(15)5-11-9-8(17-3)10(16)13-6-12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,16)
InChIKeyMMZHFZRPEXQHQU-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.33
Rot. Bonds5

About N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide

N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 136870165) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID136870165
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCN(C)C(=O)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H16N4O3/c1-4-14(2)7(15)5-11-9-8(17-3)10(16)13-6-12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,16)
InChIKeyMMZHFZRPEXQHQU-UHFFFAOYSA-N
XLogP-0.33
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylpropanamide
CID 136980716
2-[(6-amino-5-methoxypyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 114133405
3-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 136976704
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-ethoxy-2-methylpropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136999429
4-(2-ethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977399
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136864256
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 137003215
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 136974783
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide (CID 136870165) is N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide is CCN(C)C(=O)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is MMZHFZRPEXQHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-14(2)7(15)5-11-9-8(17-3)10(16)13-6-12-9/h6H,4-5H2,1-3H3,(H2,11,12,13,16).
What are the key properties of N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide?
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 240.26 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 136870165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).