N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide

C17H24N6O — CID 112912891

IUPACN-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(C)cc(NCCN(C)C)n2)cc1
InChIInChI=1S/C17H24N6O/c1-12-11-16(18-9-10-23(3)4)22-17(19-12)21-15-7-5-14(6-8-15)20-13(2)24/h5-8,11H,9-10H2,1-4H3,(H,20,24)(H2,18,19,21,22)
InChIKeyWFDXFZVKACQLGF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.46
Rot. Bonds7

About N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 112912891) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID112912891
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(C)cc(NCCN(C)C)n2)cc1
InChIInChI=1S/C17H24N6O/c1-12-11-16(18-9-10-23(3)4)22-17(19-12)21-15-7-5-14(6-8-15)20-13(2)24/h5-8,11H,9-10H2,1-4H3,(H,20,24)(H2,18,19,21,22)
InChIKeyWFDXFZVKACQLGF-UHFFFAOYSA-N
XLogP2.46
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112912839
2-N-[4-(diethylamino)phenyl]-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912898
N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112944839
N-[4-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112915576
N-[4-[[4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112920611
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
ethyl 4-[[2-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-4-yl]amino]benzoate
CID 112913096
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112912886
N-[4-[[4-methyl-6-(2-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112927042
4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112912860
N-[4-[[4-(2,6-difluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931571

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (CID 112912891) is N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(C)cc(NCCN(C)C)n2)cc1.
What is the InChIKey of N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is WFDXFZVKACQLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-11-16(18-9-10-23(3)4)22-17(19-12)21-15-7-5-14(6-8-15)20-13(2)24/h5-8,11H,9-10H2,1-4H3,(H,20,24)(H2,18,19,21,22).
What are the key properties of N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112912891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).