N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen

C16H24N4O — CID 156868242

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
SMILESC=C.CC(=O)Nc1ccc(Nc2cc(C)nc(C)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C14H16N4O.C2H4.2H2/c1-9-8-14(16-10(2)15-9)18-13-6-4-12(5-7-13)17-11(3)19;1-2;;/h4-8H,1-3H3,(H,17,19)(H,15,16,18);1-2H2;2*1H
InChIKeyGOUGOOVOYVAVRE-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.09
Rot. Bonds3

About N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen

N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen (PubChem CID 156868242) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
PubChem CID156868242
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen
SMILESC=C.CC(=O)Nc1ccc(Nc2cc(C)nc(C)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C14H16N4O.C2H4.2H2/c1-9-8-14(16-10(2)15-9)18-13-6-4-12(5-7-13)17-11(3)19;1-2;;/h4-8H,1-3H3,(H,17,19)(H,15,16,18);1-2H2;2*1H
InChIKeyGOUGOOVOYVAVRE-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876771
N-[4-[[2-methyl-6-(3-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112877053
methyl 4-[[6-(4-acetamidoanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878805
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
N-[4-[(2-methyl-6-propan-2-yloxypyrimidin-4-yl)amino]phenyl]acetamide
CID 42065449
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748367
N-[4-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117083116
N-[4-[[6-(4-acetylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871276
N-[4-[[2-(4-formylpiperazin-1-yl)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112914764
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen (CID 156868242) is N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen is C=C.CC(=O)Nc1ccc(Nc2cc(C)nc(C)n2)cc1.[H][H].[H][H].
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen?
The InChIKey is GOUGOOVOYVAVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.C2H4.2H2/c1-9-8-14(16-10(2)15-9)18-13-6-4-12(5-7-13)17-11(3)19;1-2;;/h4-8H,1-3H3,(H,17,19)(H,15,16,18);1-2H2;2*1H.
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen?
N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen has a molecular weight of 288.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]acetamide;ethene;molecular hydrogen is sourced from PubChem (CID 156868242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).