N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C20H21N5O — CID 112859381

IUPACN-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(NC(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H21N5O/c1-14(16-6-4-3-5-7-16)23-19-12-20(22-13-21-19)25-18-10-8-17(9-11-18)24-15(2)26/h3-14H,1-2H3,(H,24,26)(H2,21,22,23,25)
InChIKeyAVBAUEHYKCNIJV-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.35
Rot. Bonds6

About N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112859381) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112859381
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(NC(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H21N5O/c1-14(16-6-4-3-5-7-16)23-19-12-20(22-13-21-19)25-18-10-8-17(9-11-18)24-15(2)26/h3-14H,1-2H3,(H,24,26)(H2,21,22,23,25)
InChIKeyAVBAUEHYKCNIJV-UHFFFAOYSA-N
XLogP4.35
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

methyl 3-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112859383
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123
6-N-(2,6-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112859346
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
CID 61234394
3-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112859405
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112859381) is N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(NC(C)c3ccccc3)ncn2)cc1.
What is the InChIKey of N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is AVBAUEHYKCNIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(16-6-4-3-5-7-16)23-19-12-20(22-13-21-19)25-18-10-8-17(9-11-18)24-15(2)26/h3-14H,1-2H3,(H,24,26)(H2,21,22,23,25).
What are the key properties of N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112859381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).