2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide

C19H21ClN6O — CID 70703079

IUPAC2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
SMILESCc1nc(NCCNC(=O)c2ccccc2Cl)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C19H21ClN6O/c1-12-13(2)26(11-23-12)18-10-17(24-14(3)25-18)21-8-9-22-19(27)15-6-4-5-7-16(15)20/h4-7,10-11H,8-9H2,1-3H3,(H,22,27)(H,21,24,25)
InChIKeyRPZSXKZNCMGIKH-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.08
Rot. Bonds6

About 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide

2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide (PubChem CID 70703079) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
PubChem CID70703079
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide
SMILESCc1nc(NCCNC(=O)c2ccccc2Cl)cc(-n2cnc(C)c2C)n1
InChIInChI=1S/C19H21ClN6O/c1-12-13(2)26(11-23-12)18-10-17(24-14(3)25-18)21-8-9-22-19(27)15-6-4-5-7-16(15)20/h4-7,10-11H,8-9H2,1-3H3,(H,22,27)(H,21,24,25)
InChIKeyRPZSXKZNCMGIKH-UHFFFAOYSA-N
XLogP3.08
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.08
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

N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2,4-difluorobenzamide
CID 56920464
2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 56919908
2-bromo-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121074535
1-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3,5-dimethylphenyl)urea
CID 56921180
2,5-dichloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]thiophene-3-carboxamide
CID 122328809
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 122328666
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2,5-dimethylbenzamide
CID 122328563
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-2-carboxamide
CID 122291040
3-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 56922378
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 133313845
2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699359
2-iodo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide (CID 70703079) is 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide is Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(-n2cnc(C)c2C)n1.
What is the InChIKey of 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide?
The InChIKey is RPZSXKZNCMGIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-12-13(2)26(11-23-12)18-10-17(24-14(3)25-18)21-8-9-22-19(27)15-6-4-5-7-16(15)20/h4-7,10-11H,8-9H2,1-3H3,(H,22,27)(H,21,24,25).
What are the key properties of 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide?
2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide has a molecular weight of 384.87 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]benzamide is sourced from PubChem (CID 70703079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).