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

C17H23N5O — CID 122324029

IUPACN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cc(NCC)nc(C)n2)cc1
InChIInChI=1S/C17H23N5O/c1-4-6-17(23)22-14-9-7-13(8-10-14)21-16-11-15(18-5-2)19-12(3)20-16/h7-11H,4-6H2,1-3H3,(H,22,23)(H2,18,19,20,21)
InChIKeyIAOCUDQTKYHCCZ-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.70
Rot. Bonds7

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

N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide (PubChem CID 122324029) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
PubChem CID122324029
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cc(NCC)nc(C)n2)cc1
InChIInChI=1S/C17H23N5O/c1-4-6-17(23)22-14-9-7-13(8-10-14)21-16-11-15(18-5-2)19-12(3)20-16/h7-11H,4-6H2,1-3H3,(H,22,23)(H2,18,19,20,21)
InChIKeyIAOCUDQTKYHCCZ-UHFFFAOYSA-N
XLogP3.70
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]butanamide
CID 50748313
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 122324032
2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324222
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(2-fluorophenyl)acetamide
CID 122324278
4-bromo-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122324436
4-N-(4-aminophenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 99980348
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 122324247
2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324098
1-(2,4-difluorophenyl)-3-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 122324139
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
CID 122324085
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 122324238
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-6-methoxypyridine-3-carboxamide
CID 122324344

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide (CID 122324029) is N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Nc2cc(NCC)nc(C)n2)cc1.
What is the InChIKey of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide?
The InChIKey is IAOCUDQTKYHCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-6-17(23)22-14-9-7-13(8-10-14)21-16-11-15(18-5-2)19-12(3)20-16/h7-11H,4-6H2,1-3H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide?
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide has a molecular weight of 313.41 g/mol, XLogP of 3.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide is sourced from PubChem (CID 122324029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).