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

C17H23N5O — CID 112908412

IUPACN-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCCCNc1nc(C)cc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C17H23N5O/c1-4-5-10-18-17-19-12(2)11-16(22-17)21-15-8-6-14(7-9-15)20-13(3)23/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyATIFQQUSGKJFJL-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.70
Rot. Bonds7

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

N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112908412) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112908412
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCCCNc1nc(C)cc(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C17H23N5O/c1-4-5-10-18-17-19-12(2)11-16(22-17)21-15-8-6-14(7-9-15)20-13(3)23/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)(H2,18,19,21,22)
InChIKeyATIFQQUSGKJFJL-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

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112940211
4-N-(4-ethylphenyl)-6-methyl-2-N-pentylpyrimidine-2,4-diamine
CID 112925498
6-methyl-2-N-pentyl-4-N-phenylpyrimidine-2,4-diamine
CID 112925484
N-[4-[[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112917711
N-[4-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112913388
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112919668
N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112940016
2-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194565
N-[4-[[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112912891
2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl acetate;hydrochloride
CID 24766735

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide (CID 112908412) is N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide is CCCCNc1nc(C)cc(Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is ATIFQQUSGKJFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-5-10-18-17-19-12(2)11-16(22-17)21-15-8-6-14(7-9-15)20-13(3)23/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)(H2,18,19,21,22).
What are the key properties of N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide 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-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112908412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).