2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

C20H22N6O — CID 122291339

IUPAC2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C20H22N6O/c27-20(11-15-3-1-2-4-15)25-17-7-5-16(6-8-17)24-18-12-19(23-13-22-18)26-10-9-21-14-26/h5-10,12-15H,1-4,11H2,(H,25,27)(H,22,23,24)
InChIKeyILRMZTCEPBPNOY-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.92
Rot. Bonds6

About 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 122291339) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID122291339
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESO=C(CC1CCCC1)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1
InChIInChI=1S/C20H22N6O/c27-20(11-15-3-1-2-4-15)25-17-7-5-16(6-8-17)24-18-12-19(23-13-22-18)26-10-9-21-14-26/h5-10,12-15H,1-4,11H2,(H,25,27)(H,22,23,24)
InChIKeyILRMZTCEPBPNOY-UHFFFAOYSA-N
XLogP3.92
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]acetamide
CID 108756571
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122291300
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122291297
1-(3-fluorophenyl)-3-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]urea;hydrochloride
CID 154828685
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(2-methylphenyl)urea
CID 70702504
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzamide
CID 121073858
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(3-methoxyphenyl)urea
CID 121074248
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122291399
N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122291516
2-cyclopentyl-N-pyridin-4-ylacetamide
CID 11839759
2-cyclopentyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 134040291

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 122291339) is 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is O=C(CC1CCCC1)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is ILRMZTCEPBPNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(11-15-3-1-2-4-15)25-17-7-5-16(6-8-17)24-18-12-19(23-13-22-18)26-10-9-21-14-26/h5-10,12-15H,1-4,11H2,(H,25,27)(H,22,23,24).
What are the key properties of 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 362.44 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122291339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).