N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide

C13H22N4O2 — CID 136713570

IUPACN-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-6-17(5)13(19)9(4)14-10-7-11(18)16-12(15-10)8(2)3/h7-9H,6H2,1-5H3,(H2,14,15,16,18)
InChIKeyDFESHBVRUWZZFL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.17
Rot. Bonds5

About N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide

N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136713570) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136713570
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCCN(C)C(=O)C(C)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-6-17(5)13(19)9(4)14-10-7-11(18)16-12(15-10)8(2)3/h7-9H,6H2,1-5H3,(H2,14,15,16,18)
InChIKeyDFESHBVRUWZZFL-UHFFFAOYSA-N
XLogP1.17
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
CID 137301596
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136932127
2-(1-Aminoethyl)-6-(dimethylamino)-3-methylpyrimidin-4-one
CID 84667044
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604502
N-tert-butyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604526

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (CID 136713570) is N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is CCN(C)C(=O)C(C)Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is DFESHBVRUWZZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-6-17(5)13(19)9(4)14-10-7-11(18)16-12(15-10)8(2)3/h7-9H,6H2,1-5H3,(H2,14,15,16,18).
What are the key properties of N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136713570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).