N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide

C14H16N4O2 — CID 121064222

IUPACN-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2cnccc2=O)cc1
InChIInChI=1S/C14H16N4O2/c1-17(2)12-5-3-11(4-6-12)16-13(19)9-18-10-15-8-7-14(18)20/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyNXKZGTLJRIUYCB-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.95
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064222) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID121064222
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2cnccc2=O)cc1
InChIInChI=1S/C14H16N4O2/c1-17(2)12-5-3-11(4-6-12)16-13(19)9-18-10-15-8-7-14(18)20/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyNXKZGTLJRIUYCB-UHFFFAOYSA-N
XLogP0.95
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
CID 115679497
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
2-(5-amino-2-oxo-1-pyridinyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62815302
N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679462
2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62102860
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63768463
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 78829560
N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide (CID 121064222) is N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide is CN(C)c1ccc(NC(=O)Cn2cnccc2=O)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is NXKZGTLJRIUYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-17(2)12-5-3-11(4-6-12)16-13(19)9-18-10-15-8-7-14(18)20/h3-8,10H,9H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).