N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide

C8H12N4O2 — CID 136956044

IUPACN,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCN(C)C(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O2/c1-12(2)8(14)4-9-6-3-7(13)11-5-10-6/h3,5H,4H2,1-2H3,(H2,9,10,11,13)
InChIKeyPUNNFOFGTJLHFS-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.73
Rot. Bonds3

About N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide

N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136956044) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136956044
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCN(C)C(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H12N4O2/c1-12(2)8(14)4-9-6-3-7(13)11-5-10-6/h3,5H,4H2,1-2H3,(H2,9,10,11,13)
InChIKeyPUNNFOFGTJLHFS-UHFFFAOYSA-N
XLogP-0.73
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide (CID 136956044) is N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide is CN(C)C(=O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is PUNNFOFGTJLHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-12(2)8(14)4-9-6-3-7(13)11-5-10-6/h3,5H,4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 196.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136956044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).