2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate

C16H20N4O2 — CID 24766736

IUPAC2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate
SMILESCC(=O)OCCNc1nc(C)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-11-4-6-14(7-5-11)19-15-10-12(2)18-16(20-15)17-8-9-22-13(3)21/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyOKWDUQAPRDCYKA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.81
Rot. Bonds6

About 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate

2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate (PubChem CID 24766736) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate
PubChem CID24766736
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate
SMILESCC(=O)OCCNc1nc(C)cc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-11-4-6-14(7-5-11)19-15-10-12(2)18-16(20-15)17-8-9-22-13(3)21/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyOKWDUQAPRDCYKA-UHFFFAOYSA-N
XLogP2.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
2-({6-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
CID 5328382
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-6-methyl-N~4~-(4-methylphenyl)-2,4-pyrimidinediamine
CID 721060
N-(3-chloro-4-methylphenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921268
N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
Ethyl 4-(benzylamino)quinazoline-2-carboxylate
CID 731981
2-[(2-Phenylquinazolin-4-yl)amino]ethyl propionate
CID 16187957
N-(2,4-dimethylphenyl)-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 697257
N-(4-methylphenyl)-4-(morpholin-4-yl)quinazolin-2-amine
CID 784132
6-methyl-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 1868950
N4-benzyl-6-methyl-N2-phenyl-pyrimidine-2,4-diamine
CID 5276763

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate?
The IUPAC name of 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate (CID 24766736) is 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate.
What is the SMILES notation for 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate?
The canonical SMILES for 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate is CC(=O)OCCNc1nc(C)cc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate?
The InChIKey is OKWDUQAPRDCYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-4-6-14(7-5-11)19-15-10-12(2)18-16(20-15)17-8-9-22-13(3)21/h4-7,10H,8-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate?
2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate has a molecular weight of 300.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate is sourced from PubChem (CID 24766736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).